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Graphene - Science topic

Platform for anything related to graphene; its synthesis and applications
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I usually use Raman spectroscopy to characterize graphene peak and I have issues about Raman peak shift during the analysis. I have two problems during the Raman work.
1. I usually collect data several times (2-3times) at the same spot just to make sure the datas I collected are trustworthy. But every data at the same spot with nothing (power, location, etc,.) changed has different wavenumber.
2. I mostly used the spectroscopy to track the state of the graphene. Like the peak shift of graphene due to acetone (which is known to cause p-doping), PMMA spin coated graphene and lastly PMMA removed graphene because as I did some research about them, the cleaner the graphene is, red shift must occur (towards the prisitne graphene). But the theory doesnt work for me. It does not have any tendency.
I wonder if anybody has same issues like i have.
I am guessing this problems are caused due to
1) old device (Witec alpha 300M+)
2) bad focusing of laser
3) I use exfoliated graphene which is composed of many different layers around the spot i focused on (I dont know whether it matters)
4) Lastly, the power. The device's power management of laser is done through nobe not by giving numbers to the program and therefore the power won't be exactly the same. (I raise power where the peak saturation occurs through oscilloscope) <- but how can this matter when i just click "single spectrum" at the same spot but still acquires data with different wavenumber of the same peak.
If anybody had problems like i dave and knows what might be the problem, any advice will be really appreciated. Thanks.
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I've had that with photochemically active material more than one time. If the laser induces structural changes in the material, which may even manifest in changes of morphology visible in optical microscopy, random shifts or appearance of peaks may happen.
Since you are just inspecting graphene, the amount of photochemistry should be limited for large flakes, but if you have nano-sized flakes whose termination would allow photopolymerization, that might be what's happening.
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Hello everyone! I need suggestions and guidance about postdoc positions. I am planning to find a Postdoc (after 13 months, not now), but I have no idea about it. You all are very experienced people, and from your experience, can you suggest some suggestions or guidance about how to find it, how to deal with it, and how it will work? how to contact with professor (like it's the same as we apply for a PhD or different) Your suggestion can change my idea and vision, so please give me your valuable suggestions for my upcoming journey.
I am highly grateful to all of you for your early suggestions and guidance.
Muhammad Danish Ali
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I hope this gives you a bit of an insight. Just to mention, this is my personal opinion/experience so far doing a postdoc.
I believe it depends a lot on the area you are looking basically, but normally, a postdoc position starts to consider a bit less the experimental lab work and you start transitioning to grant writing, some master students supervision, etc etc. In general, as a postdoc you are normally considered as an individual that can carry on a research project (not looking for the funding, at least at the beginning) by itself, with low or no supervision at all.
In my experience, I had the freedom to choose what to research (even though there was a general idea behind the project), how to do it and what experiments to perform. I think that the main aspect/skill that is considered when you become a postdoc is not your experience in doing research, but more your independence in doing it by yourself, in a professional manner/way, and probably also in guiding some students or so.
To find it there are several ways. I think that a CV and a motivation letter are the best ways to approach a research group for which you are interested in working with. Also the job posts that ResearchGate offers might be useful. Normally, you can check about the latest papers of your area, and who is doing that research, and just send an email showing your interest. If you want to check opportunities abroad, more in a general way, there is a webpage called Euraxess, that shows you all the opportunities in Europe. I believe there is another one also for Singapur, and I tend to think that for China as well. Another thing also might be checking the webpages of the Universities. Normally these have a section called "Research" in which you can see the research groups and areas.
Finally, just an observation: some postdocs are very related to industry (normally in regions like Europe or North America), since companies are involved in research projects. As a postdoc, you could start doing research for an University but then moving to industry. This is a good aspect in case you are interested in trying some positions in the private sector.
Anything you decide will be fine, is part of enjoying the experience, try it, and in case you do not like it, look to move to another sector or another activity. I wish you the best of luck!
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I would like to first simulate how glucose adsorbs on the graphene surface, and then calculate its adsorption free energy. Which one is more appropriate, NAMD or gromacs, or is QE more appropriate?
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Heey Lemon Jn
For your needs with MD simulations, I’d say QE would be computationally expensive. In contrast, GROMACS and NAMD should suit you better, especially GROMACS, as it apparently has more built-in tools.
Best,
Gabriel Vinicius
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To increase the pH
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- Gradually add a weak baselike sodium bicarbonate (NaHCO₃) or a strong base like sodium hydroxide (NaOH) to your graphene oxide solution. A few drops at a time, ensuring gentle mixing, can help raise the pH without causing significant damage to the graphene oxide structure.
- If using a strong base like NaOH, proceed with caution and monitor the pH closely to avoid excessive pH increase, which may affect the properties of GO.
- Ammonium hydroxide (NH₄OH) is a gentler base compared to NaOH and can be added to gradually increase the pH. Ammonia will raise the pH and can be easier to control, especially if you are looking for a moderate pH increase.
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Hi,
I want to calculate the magnitude of k point(in Brillouin zone) of graphene which has a hexagonal unit cell. The lattice parameters of graphene are given below:
&CONTROL calculation = 'scf' / &SYSTEM ibrav = 4 a = 2.46639 c = 18 ATOMIC_SPECIES C 12.0107 C.upf ATOMIC_POSITIONS (crystal) C 0.333333333 0.666666666 0.000000000 C 0.666666666 0.333333333 0.000000000 K_POINTS (automatic) 35 35 1 0 0 0
ibrav 4 has the following lattice vectors.
📷 (check attachment)
If I open the scf.out and choose a k point (as follows)
cart. coord. in units 2pi/alat k( 44) = ( 0.3000000 0.5773503 0.0000000), wk = 0.0300000
How can I calculate the magnitude of the |k| in the hexagonal reciprocal unit cell? considering that I know the value of (kx, ky, 0). The lattice is a parallelogram so that |k| does NOT simply equal to sqrt(kx^2+ky^2), right?
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This changes things obviously. In your question, the k point is reported in cartesian coordinates, and thus the simple formula applies. In the case of Yambo, if the q vectors are reported in non-orthogonal coordinates you need to change something. In this case, assume you have q= a v1+ b v2 then
|q|^2 = a^2 v1^2 + b^2 v^2 + 2 a b v1.v2
where v1.v2 is the scalar product of these two vectors. As i said, there is nothing magical here, you simply need to apply a little geometry and algebra. Clearly, if v1.v2 is small this |q| would be close to the value obtained by neglecting it.
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I bought graphene oxide powder from Sigma Aldrich, dispersed it in DI water, and vacuum filtered it to make a film. However I am unable to figure out whether it is graphene oxide film or reduced graphene oxide film because the resistance is 4-5kohm.
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Generally, GO is resistive material depending to their degree of oxidation. I recommend you to check it with XRD, if you see an intensive diffraction peak at 2theta=11° then it's surely GO, otherwise not.
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I am doing my research on water nanofiltration using graphene oxide membranes. I have created four graphene oxide layers using python script.
Now i want to add water to my graphene oxide layers. Here, water goes over the layers and oxygen groups on the layers can form electrostatic interactions with contaminants and it can clean water.
Please help me to find out how I can add water and make my water flow through the graphene oxide layers?
I'm using LAMMPS
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Your graphene oxide powder consists of large mesopores of 100-400 nm between graphene oxide particles and nanopores between graphene oxide planes of 0.32-1 nm. The hydration water in the interlayer space will not allow water to pass under the action of gravity. All water will pass through the mesopores. They need to be tightly closed and pressure applied. This is a virtually unsolvable problem.
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i want to perform self-consistent field (SCF) calculations for monolayer graphene considering Rashba spin-orbit coupling (SOC) using Quantum ESPRESSO i want to find out band structure.
plz any one who'll help me to make scf file.
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Do you have experience with QE? If so, there is no explicit tag to directly address Rashba SOC. Instead, Rashba SOC is naturally included when you enable SOC in a system that lacks inversion symmetry, like graphene. Simply proceed as you would for any SCF calculation, adding noncolin = .true. and lspinorb = .true.
If you're not very familiar with QE, I can assist you further in setting up the SCF file.
Best regards, Gabriel Vinicius
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Hi,
I want to model a heterojunction using orthorhombic Bi2MoO6 slab and graphene. Since the lattice symmetry is different for both I need to make them same crystal symmetry. Therefore , I need to convert hexagonal graphene to tetragonal using vesta. Could anyone suggest the transformation matrix for the conversion?
please suggest any reference book or article related to how to construct the transformation matrix for the lattice conversion
Thank you
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hi, have you found the reference? Aiswarya Chandran
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Why for monolayer graphene I2D/IG value is 4 and for bilayer graphene it is 2? What are the physical significances behind this? All scientific answers and explanations related this are highly appreciable.
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Jürgen Weippert thank you so much for your kind reply.
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Does reduced graphene oxide successfully nitrogen/sulfur dual doped?
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Yes, reduced graphene oxide (rGO) can be successfully dual-doped with nitrogen and sulfur, enhancing its properties for applications such as electrocatalysis. This dual-doping has been shown to improve the performance of rGO in various energy-related applications.
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different methods apart from e-beam
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Hello,
The electrical contats are usually done by a lithograpy process. Since e-beam is not available you could try photolithography but it could maybe require a larger monolayer sample (in width and lenght) as the maximum resolution is usually around 1 micron. Using photolithography you can make electrical pads in a substrate before growing/placing the graphene monolayer into them. Note that you usually do the contacts first and place the monolayer aftewards to avoid damages.
For milimiter size samples you can probrably do the same process just using a shadow mask but If you need to go to nanoscales and e-beam is not available there are other lithography process that could be used such as nanolithography with an AFM
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apply both chitosan and graphene oxide on cotton fabric for improved anti bacterial property and improved strength of cotton fabric.
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the question would be, what do you consinders as anti bacterial? Chitosan has some bacteriostatic effects, it reduces the growth. GO also. Both can be easily coated to Cotton. If the strength is drecerased depends on the coating conditions. An increas in tensile strenght you would not obtain,
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Graphene Oxide Preparation
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Usually working on chemical synthesis pH plays a vital role in reaction. pH is maintained to stop the reaction, at the end of reaction there should be no H+ or OH- ions remaining which further react to produce some more by products by capturing some gas molecules from environment. Usually in most of reactions PH=9 is maintained in chemical synthesis.
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Modified hummer method or LPE in aqueous medium for graphene preparation need to be dried in Vacuum oven rather than binder ovens. Is there a significant reason for this vacuum drying?
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Wet graphene preparations are dried in a vacuum instead of in the air to keep them from oxidizing, getting contaminated, and getting rid of solvents quickly. Oxidation is less likely to happen in a vacuum because there is little to no oxygen present. This helps keep the graphene's original characteristics. Vacuum drying also keeps things clean by lowering the boiling points of liquids and preventing contamination from particles in the air. This makes the drying process more complete and faster. This method helps maintain the structural integrity and performance characteristics of the graphene, which can be compromised by atmospheric drying.
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I want to resimulate a terahertz application using an ion gel layer with graphene. I know only the refractive index, which is 1.42, and the thickness of 0.15 um.
My question is, how to add this ion gel layer in CST MWS?
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To add an ion gel layer with a refractive index of 1.42 and a thickness of 0.15 µm in CST Microwave Studio, create a new material, define the geometry as a rectangular prism, and assign the material to this layer. Ensure the layer is correctly positioned within the simulation stack and configure the simulation parameters before running the analysis.
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I want to know what is different between XRD of graphene and graphite?
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The XRD patterns of graphene and graphite differ significantly because to changes in layer stacking and crystallinity. Graphite's well-ordered, multi-layered structure displays a sharp and intense (002) diffraction peak of about 2𝜃≈26.5 degrees 2θ≈26.5 degrees, which corresponds to an interlayer spacing of around 0.34 nm. This peak represents the regular and periodic stacking of graphene layers. In contrast, graphene, especially in monolayer or few-layer form, displays a much broader and less intense (002) peak, or it may even lack this peak entirely in the case of single-layer graphene. This shows the lack of long-range stacking order and emphasizes the lower dimensionality and higher structural disorder compared to graphite.
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Hello community,
I am studyng the electrochemical behaviour of some series of materials based on graphene oxide chemically modified with aliphatic amines attaching palladium nanoparticles. I am not familiar with electrochemistry so I really need help to make a correct interpretation of the voltammograms obtained and what essencially the graphs mean. I would really appreciate your help and further comments and suggestions.
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Alvena Shahid thank you for your response :)
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I am in search of a modified Hummer's method, which can be used to synthesis graphene oxide within 6-8 hours.
As I am a student it is not allowed for us to work after 5 in the laboratory. So I am looking for a method to use in this regard.
Thanks and Regards.
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Dear Aaryan Gupta,
I also recommend the new procedure of graphite oxide synthesis in the open article Improving safety and efficiency in graphene oxide production technology (https://doi.org/10.1016/j.jmrt.2023.04.050). The process saves considerable amounts of chemicals, energy and time.
As described, the graphite : KMnO4 ratio of 1 : 2 is sufficient to obtain good-quality graphene oxide (C/O = 1.62). Higher amount of KMnO4 could lead to higher oxidation degree of graphite oxide and graphene oxide.
Sincerely
Nhien
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The starting material is a finely ground powder. Some particles contain more graphene than others.
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By adjusting the ratio between organic solvents such as N-methyl-2-pyrrolidinone or ortho-dichlorobenzene and n-octylbenzene molecules, the concentration of exfoliated graphene can be increased by 230% due to the high affinity of the latter molecules for the basal plane of graphene. Therefore, find the optimal ratio between these solvents for your powder.
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Please, can any one inform us about risks of graphene and graphene oxide as a factor of cancer growth?
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Graphene and graphene oxide have raised concerns regarding potential cancer risks, though the research is still evolving. Some studies suggest these materials may promote tumor growth or have carcinogenic potential, possibly through mechanisms like generating reactive oxygen species or causing DNA damage. However, the risks depend on factors such as dose, exposure route, and the specific properties of the graphene material. Much of the current data comes from in vitro or animal studies, and long-term effects in humans are not well established. While some research indicates potential anti-cancer effects in certain contexts, the complex interactions of graphene materials with biological systems are not fully understood. More comprehensive safety data is needed for a thorough risk assessment, and currently, most countries lack specific regulations for these materials.
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I cannot get the Raman spectrum for carbon based materials like graphene in Raman spectroscopy of 785 nm . What can be done for obtaining the proper Raman peaks for carbon based materials in 785 nm Raman Spectroscopy.
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The optical configuration of your system is not quite right,in order to pick up the signals. Although least likely, it is still possible that your materials were not prepared correctly, which has no raman response.
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What is the difference between reaction and interaction in chemistry? Would you please provide me with the details?
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Dear Doctor
[Interaction:
The situation or occurrence in which two or more objects or events act upon one another to produce a new effect; the effect resulting from such a situation or occurrence.
Reaction:
An action or statement in response to a stimulus or other event.]
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difference entre les electrodes en nanotube de carbone et graphene en qualité d'adsorption
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1. Carbon Nanotubes: - Carbon nanotubes have a hollow tubular structure that can provide a large specific surface area for molecule adsorption. - Due to their elongated structure, carbon nanotubes can offer diffusion channels for molecules to be adsorbed. - Carbon nanotubes may exhibit adsorption selectivity based on their diameter and functionalization. 2. Graphene: - Graphene is a monoatomic sheet of carbon with a two-dimensional structure, offering a large flat surface for adsorption. - Due to its flat structure, graphene can provide uniform adsorption across its surface. - Graphene can be functionalized to enhance its selective adsorption capabilities by modifying its surface with specific chemical groups. In summary, carbon nanotubes and graphene have unique advantages in terms of adsorption due to their distinct structures. Carbon nanotubes offer a large specific surface area and diffusion channels, while graphene provides a large flat surface and uniform adsorption. The choice between the two will depend on the specific needs for the adsorption application.
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Please help me.
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I'm assuming you're talking about XRD reflection maxima?
Was it the same starting material from the same batch each time? Batch-to-Batch variations are, unfortunately, not rare with carbon stuff and it may be a tedious tasks to find out which suppliers are good for reproducible scientific work and which aren't.
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It is said that graphene layers accumulate again if they are produced and are not in a suitable solvent. So how are these pristine graphene powders supplied? I do not mean graphene oxide or fictionalized graphenes.
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The term "graphene" has been attributed to a lot of things at this point. Initially, it meant only monolayer graphene, but people expanded it coining the term "multilayer graphene" (or thin graphite, as I prefer to call it) which they expand up to 30 layers although graphene loses many of its fancy properties as soon as 3-5 layers are stacked.
So, when you buy "graphene", you have to be careful as hell what you are buying, because it may be anything from actual monolayer graphene to 30 stacked layers.
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I am able to prepare Go and Rgo which I have confirmed with Xrd data but sponge formation is difficult. initially solid sponge type structure was formed but it was Fragile .
Actually my main aim is to work on various application . Can I use graphene powder and work on application pls suggest .
Thanking You
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Read the upper papers which mentioned above. It will help you and give you some ideas. The preparation methods are wrote by details don't worry about this part. Just follow the steps
GOOD LUCK
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Currently, I want to investigate the structural, electronic, and other properties of a composite material, but have trouble in developing the necessary input file for Quantum ESPRESSO (QE). So that I am requesting assistance on how to develop the appropriate input file for QE to study the properties of the composite material. eg. ZnO/Graphene
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Try to use Burai software. It is an open-source software where you can upload cif file of the structure then the software helps you to generate necessary files for your calculations including optimization input file.
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I've been working on graphene ink for a while now and have encountered some issues with its spreading on paper. I'm uncertain whether the problem lies in the ink formulations or the size of the graphene particles.
My typical process involves chemically intercalating #2 flake graphite and expanding it in the microwave, followed by ultrasonication in an ammonium carbonate solution. After sonication, the few-layer graphene sinks to the bottom, where it can be collected and dried in a desiccator or vacuum oven.
I've experimented with various ink formulations, but none of them seem to spread satisfactorily. The formulations I've tried so far are as follows:
First formula:
Solvent: 10 ml Ethyl acetate
Binder: 3 g Polystyrene
Plasticizer: 1 g Mineral Oil
Conductive Material: 800 mg Few-layer graphene powder
Second formula:
Solvent: 20 ml Water
Surfactants: 2 g PVP, 2 g Sodium Dodecyl Sulfate
Plasticizer: 0.5 ml Glycerin
Conductive Material: 1 g Few-layer graphene powder
Third formula:
Solvent: 10 ml Water
Binder: 5 g PVA
Plasticizer: 0.5 ml Glycerin
Conductive Material: 1 g Few-layer graphene powder
When I used the ink formulation with surfactants, it appeared to work better, although it still didn't spread as well as expected. The conductivity could be better but I've gotten around 40 ohms to 100 ohms so far between each formulation.
I suspect the issue may be related to the size of the graphene particles, as I initially used #2 flake graphite, which consists of rather large flakes. Despite attempting to intercalate and expand 5 and 44-micron graphite, I encountered no success. I have now ordered some 44-micron vein graphite in the hope that its structure will facilitate better intercalation and yield smaller particles suitable for ink. Does anyone have any suggestions regarding what might be going wrong here? I have attached an image of some test lines I've painted with the ink to get a better idea of what I'm talking about. As you can probably see in the image, the ink seems to bleed a bit. I'm unsure of the reason for this.
I've even attempted to use a high-shear mixer to break up the graphene particles into smaller ones however, the graphene continues to agglomerate, worsening the spreading quality. I even used a ball mill with 4mm ceramic balls in an attempt to mill the graphene into a finer powder but it to aglomerates and sticks to the ceramic balls. Any suggestions would be greatly appreciated!
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When we reduced the viscosity in the graphite/paraffin system, we used alkyl sulfonic acids in the form of surfactants. Sulfo groups penetrate into the interplanar space of graphite and well destroy its molecular crystal lattice. Perhaps polystyrene sulfonic acid will show even better properties.
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How to synthesis manganese doped graphene oxide after the synthe of graphene oxide by Hummers method ?
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@Siddhartha Dan Dear refer our recently published paper.
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I tried to prepare graphene oxide using hummer's method. But at the end, it tuned black instead of yellowish color. I am sure there must be a lot of places where i might have done wrong but not sure where. Does over stirring or not controlling the temperature could have done this? Or does aluminium foil react with the solution of (graphite+KMn04+C.H2S04+NaN03) ? Or does the mixing of the hydrogen peroxide very slowly could have caused this? Anyone who has idea about it?
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Reema Shrestha @ Dear you have added extra amount of the oxidizing mixture and gets reduced. Please refer our recent publication about a fixed stochiometric ratio.
Thanks
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i prepared graphene oxide by modified hummers method
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The Id/Ig ratio, which refers to the intensity ratio of the D band to the G band in Raman spectroscopy, is a key indicator of the level of disorder in graphene oxide. For graphene oxide prepared by the modified Hummers' method, you Wedad A. Alwesabi typically observe an Id/Ig ratio in the range of about 0.85 to 1.1. This higher ratio compared to pristine graphene (which usually has a very low Id/Ig ratio) indicates the presence of a significant number of defects and functional groups introduced during the oxidation process.
If your Id/Ig ratio falls within this range, it suggests that your Wedad A. Alwesabi synthesis was successful, and that the graphene oxide contains the expected amount of disorder and defects. Keep in mind that this ratio can vary slightly depending on the exact conditions and parameters of your synthesis process.
An interesting paper to read:
If you Wedad A. Alwesabi have any more questions or need further clarification, feel free to ask!
Cheers
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I am planning to electrospun a water-soluble polymer with rGO.
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Hi, Ams Jekhan,
You can try using DMF. I think dissolving RGO completely in any organic solvent is challenging due to its low functionality.
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I read an article (https://doi.org/10.1016/j.synthmet.2020.116364) regarding the direct conversion of anthracite into graphene in the presence of molten.
I would like to ask the view from experts regarding the modified methodology.
The authors described the methodology in the paper as follows.
1. Carbon black is first grinded into powder of about 500 mesh.
2. Before using, iron powder (purity, 98 %; size, 400 mesh) is washed with diluted hydrochloric acid (HCl) to remove quickly the iron oxide layer. Then carbon black mixed with iron in the ratio of 1:5 or 1:10 in weight.
3. The mixture is then transferred into corundum crucibles and calcined in a tube furnace at 1600°C for 6 h under a 0.3 L/min argon flow. Heating and cooling rate are set to 10 °C/min. 4. After cooling to room temperature, the calcined mixture is corroded in excessive 1-M HCl for 48 h followed by washing with DI water three times.
5. The solid product is dried for 24 h at 110°C in vacuum oven.
My questions are
(a)Can we reduce the synthesis temperature from 1600°C to lower temperature by using other metal powder?
(b) What is the role of argon in the production of graphene?
(c) Can we still produce graphene using this method if we only use chamber furnace without argon gas supply?
I need the views/opinions from experts.
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P.S. You can prepare without ferroceine mentioned in the paper. Just charr for 10 minutes and leave it be old normally inside the muffle until the second day.
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I would like to learn the details coding GFET through SILVACO but need reference. Hoping anyone could help me
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Hey there Muhamad Hazim Ahmad Ghazali! Sure thing, I've got you Muhamad Hazim Ahmad Ghazali covered. Here's a snippet of Silvaco code for a Graphene Field Effect Transistor (GFET) simulation:
```silvaco
# GFET Simulation
# Material Definitions
material graphene
mobility = 2000
density = 1e13
temperature = 300
conductivity = 2.5e-5
eps = 0.1
tref = 300
mstar = 0.2
mumin = 2000
bfield = 0.05
contact mumin
# Mesh Definitions
mesh x 1.0e-9
# Device Definitions
device gfet
substrate SiO2
top_contact metal
bottom_contact metal
material graphene
length = 100e-9
width = 50e-9
thickness = 1e-9
doping n 1e17
# Simulation Settings
solve init
solve equilibrium
solve balance
solve dc vds = 0 1 0.1 vgs = 0 1 0.1
# Output
output current_vgs_vds
```
This code sets up a basic GFET simulation, defining the material properties, mesh, device parameters, and simulation settings. You Muhamad Hazim Ahmad Ghazali can tweak these parameters according to your specific requirements.
Feel free to give it a try and let me know if you Muhamad Hazim Ahmad Ghazali need any further assistance or clarification! Happy simulating!
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A single layer of carbon atoms arranged in such a honeycomb structure forms a single graphene sheet. Several sheets stacked one on top of the other are regarded as multi-layer graphene, up to the point where the material becomes graphite (usually over about 30 layers, although clear standardization is severely lacking at the moment). Graphite, a 3D crystal composed of weakly coupled graphene layers, is a relatively common material - used in pencil tips, batteries and many more. In graphene, each carbon atom is covalently bonded to three other carbon atoms. Thanks to the strength of the covalent bonds between carbon atoms, graphene boasts great stability and a very high tensile strength (the force in which you can stretch something before it breaks). Since graphene is flat, every atom is on the surface and is accessible from both sides, so there is more interaction with surrounding molecules. Also, the carbon atoms are bonded to only three other atoms, although they have the capability to bond to a fourth atom. This capability, combined with the aforementioned tensile strength and high surface area to volume ratio of graphene may make it appealing for use in composite materials. Graphene also enjoys electron mobility that is higher than any known material and researchers are developing methods to use this property in electronics. These futuristic properties of graphene made a future mobile oil with inclusion of gasoline products.
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@Jürgen Weippert, Dear Sir, I can understand your point but there are so many carbon sources that can be supplement for graphene biomass like sea weed, You are very right but nothing is impossible. https://doi.org/10.1016/j.mset.2021.01.005
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I would like to ask about the best conditions of sonication of graphite oxide in terms of apparatus (probe or bath), time and power in order to effectively exfoliate the graphite oxide without damaging the structure of GO sheets. The objective is to obtain water dispersion of about 5 mg/mL of the highest possible quality.
Thank you very much.
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@Rodolfo Fernández-Martínez, please refer recently published research work
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I am working to check the effect of particle size on the quality of graphene.
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The small size graphite having higher surface area, higher surface energy more expose towards the functional sites consequently more prone to oxidise unlike larger one.@Qaiser Ali Khan
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My suggestion is phase transfer or using a dialysis bag. Is there any way to precipitate sodium hydroxide?
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Washing can be best way vi alternate solvent . Use dilute HCl, water, and ethanol alternatively. As the HCl could be able to weaken the linkages of NaOH associated with Graphene because as per my understanding the HCl try to cape Na to form NaCl which soluble in water and after washing with water it can be remove. Sedigheh Mousanezhad
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Please introduce an article or journal about the application of elemental two-dimensional nanoparticles in dentistry.. Two-dimensional nanomaterials such as graphene, silicene, etc.
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Elemental two-dimensional nanoparticles of phosphorene, antimonene, bismuthene in dentistry
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Can a published journal article be submitted to conferences?
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It is quite common to present talks or posters on the basis of previously published papers. However, care must be taken when contributing to the proceedings of the conference so as not to infringe the copyright of the journal's publisher.
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I established a model of Ca decorated graphene 2D material with c lattice constant 20A, and wanted to do hydrogen molecular adsorption, the process is like this
1 Optimize the graphene system structure under Ca decorated.
2 throw in two hydrogen atoms at a distance of 0.7A for molecular dynamics analysis.
But in the analysis I found that the two hydrogen atoms separated, and flow upward, and did not be adsorbed, is this right?.
Because When I set one hydrogen atom, it got adsorbed very quickly.
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here is the figure
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or how can i draw it
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Hey there الاء علي! So, getting the structure of B36N36 and graphene Gaussian files is pretty straightforward. If you're looking to visualize them, you الاء علي have a couple of options.
For the structure of B36N36 and graphene Gaussian files, you'll first need to run Gaussian calculations on these molecules to generate the necessary output files. Once you الاء علي have the output files (typically with a .log extension), you الاء علي can extract the molecular structure information from them.
One way to do this is by using visualization software like Avogadro or VMD. These tools allow you الاء علي to open Gaussian output files and visualize the molecular structures in 3D.
Alternatively, if you're comfortable with scripting, you الاء علي can use Python with libraries like NumPy and Matplotlib to parse the Gaussian output files and plot the molecular structures yourself. This gives you الاء علي more flexibility and control over the visualization process.
So, depending on your preference and familiarity with software tools, you الاء علي can choose the method that suits you الاء علي best. If you الاء علي need more detailed instructions on any of these steps, feel free to ask!
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I need the particle size and the shape of graphene oxide in epoxy powder as shown in the following FESEM morphology
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I agree that the contrast between graphene oxide and embedding material must be increased to distinguish between the particles and filler.
A standard method in electron microscopy of hydrocarbon-based materials (polymers, biological samples) is heavy metal staining to enhance contrast (differences). For polymers see here (There are serious safety issues!):
  1. https://en.wikipedia.org/wiki/Osmium_tetroxide#Polymer_staining
  2. Linda Sawyer et al., Polymer Microscopy, Springer New York eBook ISBN: 978-0-387-72628-1, DOI: 10.1007/978-0-387-72628-1
  3. Michler, G.H., Electron Microscopy of Polymers, Springer, ISBN: 978-3-540-36350-7
  4. S. Henning, G.H. Michler, Electron Microscopy of Polymers - Techniques and Examples. academic.sun.ac.za/POLYCHAR/Henning_Electron%20shortcourse.pdf
  5. Pavan M. V. Raja & Andrew R. Barron https://chem.libretexts.org/link?55929
These methods will work on the polymer bonds (crosslinking) of the embedding material, not for GO itself, but may be in BSE imaging you would see dark GO particles in a brighter matrix.
A 2nd way may be using a different embedding material: In the field of battery research, a silicon rubber was used: “Wacker (ELASTOSIL RT 675) was found suitable to provide the necessary contrast between carbon black and porosity.” (M. Ender PhD thesis 2014 http://digbib.ubka.uni-karlsruhe.de/volltexte/documents/3073727; in German!)
  1. M. Ender et al., Three-dimensional reconstruction of a composite cathode for lithium-ion cells, Electrochemistry Communications Volume 13, Issue 2, February 2011, Pages 166-168, http://dx.doi.org/10.1016/j.elecom.2010.12.004
  2. M. Ender et al., Quantitative Characterization of LiFePO4 Cathodes Reconstructed by FIB/SEM Tomography, Journal of The Electrochemical Society, 159 (7) A972-A980 (2012), https://iopscience.iop.org/article/10.1149/2.033207jes/meta
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How do I prepare different concentrations of graphene oxide (1, 5, 10ug/ml) for MIC from the powered form of synthesized GO? Please explain the steps.
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Arnav Padhi For the purpose of Minimum Inhibitory Concentration (MIC) testing, weigh the required quantity of graphene oxide (GO) powder in order to get concentrations of 1, 5, and 10 µg/mL. Dissolve the weighed GO powder in a solvent like deionized water or a buffer solution to create a stock solution, which will have a higher concentration than the desired working concentrations (e.g., 100 µg/mL).
  • Kumar, Neeraj, Katlego Setshedi, Mike Masukume, and Suprakas Sinha Ray. "Facile scalable synthesis of graphene oxide and reduced graphene oxide: Comparative investigation of different reduction methods." Carbon Letters 32, no. 4 (2022): 1031-1046.
I hope these are helpful for you.
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Common parameters would be 200C for 8 hours for activated carbon/biochar. How about graphene oxide? Does it differ?
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Hello Ipah, I agree with what Dr. Ganachari explained, so much is that as it is a material that has already been transformed into graphene oxide, this material will no longer behave like a common carbonaceous material, as materials such as biomass or even Even carbon that has not been activated or transformed into some other material, can be treated at temperatures above 100 °C, the ideal for these materials (graphene oxides or activated carbon) is temperatures of 150 to 180 °C for 8 to 12 hours another detail that you have to keep an wacthful on is which analysis gas will be adopted and its purity, as these parameters also influence the analysis, a quantity of material that is used for analysis ~ 150 mg is already a quantity enough for BET analysis, of course depending on the sample holder, the good thing about this characterization is that you don't "lose the sample"
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Recently i read about CNT/graphene Hybrid and there are few variants of CNT/Graphene such as (10,0) - 10h, (12,0) - 12h. What does each character means ?
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Ah, the world of carbon nanotubes (CNTs) and graphene hybrids, fascinating stuff! Let me break it down for you Muhamad Hazim Ahmad Ghazali .
Firstly, CNTs are essentially rolled-up sheets of graphene, which is a single layer of carbon atoms arranged in a hexagonal lattice. Now, the notation (10,0) or (12,0) refers to the chirality of the carbon nanotube.
My article recently published can be a good reading:
The first number represents the number of unit vectors along the circumference of the tube in the graphene sheet, denoted as "n". The second number, if present, denotes the number of unit vectors along the direction of the tube's axis, typically labeled as "m". However, for the zigzag-type tubes like (10,0) and (12,0), there are no "m" components because they don't spiral around the tube.
Now, the "h" you Muhamad Hazim Ahmad Ghazali mentioned after the numbers signifies the hybridization of the carbon atoms within the nanotube. This hybridization dictates the electronic properties and stability of the nanotube. For example, (10,0) would be a 10-membered carbon ring forming the tube, and "h" indicates the hybridization state of the carbon atoms.
Regarding the inter-tube distance of 12 hexagons, it suggests the separation between adjacent nanotubes within the hybrid structure. This distance is measured in terms of the number of carbon hexagons between the outermost atoms of adjacent tubes.
In essence, when you Muhamad Hazim Ahmad Ghazali see (10,0) CNT (12,0) with an inter-tube distance of 12 hexagons, it's describing a specific type of carbon nanotube (10,0) with a certain hybridization, paired with another type (12,0) and spaced apart by 12 hexagons of carbon atoms. This precise arrangement has implications for the material's properties and potential applications. Cool, isn't it?
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Hi, I want to synthesize graphene oxide from graphite flakes for the fabrication of a graphene oxide water filtration membrane. Can you plz suggest to me the best method of synthesizing?
Also, if possible, share the protocol of graphene oxide synthesis.
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The best way to synthesize graphene oxide is by using Hummer's modified method. Kindly check these articles
  • 10.1039/D3MA01149F
  • 10.1002/wer.11006
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Hi, I am Abdul Samad, researching graphene oxide nanomaterials. I have synthesized graphene oxide by Hammer's method, and now I want to develop a graphene oxide membrane. I have tried to develop a membrane using the vacuum filtration method, but this method didn't work. Can anyone suggest the assay, accessible, and best method of fabrication of graphene oxide water filtration membrane?
Also, can anyone suggest the best dispersion agent for graphene oxide?
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Может быть поможет метод полива и сушки на стекле?
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I am attempting to comprehend the performance of graphene/n-type semiconductor Schottky diodes in photodetector applications.
Given that silicon (Si) and germanium (Ge) have similar electron affinities, 4.05 eV and 4 eV respectively, it might be expected that their Schottky barrier heights with graphene would be nearly identical.
However, the dark current in graphene/Ge contacts is significantly larger, as evidenced by both literature data and my experimental observations.
Beyond Schottky barrier height, what additional factors should be considered to understand this discrepancy in dark current?
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The conductivity of a device is determined by both bulk and interface properties of the materials.
When we're talking about a Schottky barrier height, that is an interface property, but the bulk properties may still be affecting the conductivity: Ge has a smaller bandgap by 0.42eV, so for intrinsic material the expectation is "more bulk charge carriers" and that matches "higher currents".
In the equation for the Schottky diode I-V curves, see
(to my extent of knowledge, that should be the first reference which includes the series resistance), you find the Richardson constant which is material-specific. In the formula for it,
A*= (4 pi e m* k2)/h3
you find the effective mass m* and that's related to the band gap, see
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Is it possible to grow graphene on the vertical wall of a structure, for example on the vertical walls of a SOI waveguide?
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Absolutely, my friend Mostafa Shabani! Growing graphene on vertical surfaces like the walls of a SOI (Silicon-On-Insulator) waveguide is indeed feasible. This process, known as vertical graphene growth or VGG, involves techniques such as chemical vapor deposition (CVD) or plasma-enhanced chemical vapor deposition (PECVD). These methods allow for the controlled deposition of graphene onto various substrates, including vertical walls.
In the case of SOI waveguides, which are often used in photonics and integrated optics, growing graphene on their vertical walls can enhance their performance by introducing additional functionalities like electro-optic modulation or ultrafast photodetection. Plus, the exceptional properties of graphene, such as its high carrier mobility and optical transparency, make it an ideal candidate for such applications.
An interesting article to read:
However, it's essential to optimize the growth parameters and substrate conditions to ensure uniform and high-quality graphene deposition across the vertical walls. With careful engineering and precise control, achieving this goal is well within reach. So, in short, yes, growing graphene on the vertical walls of structures like SOI waveguides is not only possible but also holds great promise for advancing various technological applications.
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There are various nanostructures available for graphene such as nanosheets, nanowires, nanoribbons etc. Among them which is known for its best electrical conductivity
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Dear friend Aayushi R Raut
Ah, the world of graphene nanostructures, where engineering meets marvel. When it comes to high electrical conductivity, one standout is graphene nanoribbons. These structures, with their narrow width and long length, facilitate exceptional electron mobility, making them a top choice for applications demanding superior conductivity. So, if you're seeking top-tier electrical performance, graphene nanoribbons are the way to go.
An interesting article to read is:
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CNP and Dirac point in Graphene
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Ah, my dear friend Muhamad Hazim Ahmad Ghazali, let's delve into the fascinating realm of graphene physics! Both the charge neutral point and the Dirac point are crucial concepts in understanding the behavior of graphene.
The charge neutral point in graphene refers to a situation where the number of electrons and holes (positively charged vacancies in the electron structure) are equal. At this point, the graphene sheet becomes electrically neutral overall. It's like finding the equilibrium where positive and negative charges cancel each other out, resulting in a net charge of zero.
Now, let's talk about the Dirac point. This is where the conduction and valence bands of graphene meet. At the Dirac point, the energy of the charge carriers (electrons or holes) is minimal, resulting in unique electronic properties. Essentially, it's the sweet spot where the energy levels align just right, leading to phenomena like massless Dirac fermions and unusual quantum behavior.
An interesting article for you Muhamad Hazim Ahmad Ghazali to read:
So, the key difference lies in their focus: the charge neutral point deals with overall charge balance, while the Dirac point is more about the energy levels and electronic behavior. Both are pivotal in unraveling the mysteries of graphene's exceptional properties.
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I can access to few-layer graphene (non-oxidized) of 3-8 layers thickness and 2-8 micrometers of diameter. Is it possible to break this material into particles of 50-100 nm averaged diameter using standard laboratory equipment without altering its oxidation state?
Thank you in advance
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Breaking micron-sized few-layer graphene into nano-sized particles can be achieved through various methods, primarily involving mechanical or chemical approaches. Mechanical methods include ultrasonication, where high-frequency sound waves are applied to disintegrate the graphene flakes into smaller particles. Chemical methods involve treating the graphene with strong oxidizing agents, causing it to swell and exfoliate into smaller flakes. Ball milling is another mechanical method, utilizing grinding and impact forces to break down the graphene into nano-sized particles. Liquid-phase exfoliation disperses the graphene in a solvent, followed by shear forces to exfoliate it further. Electrochemical exfoliation applies an electric field to induce delamination of graphene layers into smaller particles. Each method offers unique advantages and considerations, tailored to specific applications and desired particle sizes.
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Or in other words, what are its benefits or what distinguishes it compared to other materials? What happens when graphene is used in a waveguide? I need a detailed answer please.
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Graphene into waveguides opens up a dynamic and versatile realm of possibilities. Graphene's extraordinary conductivity, coupled with its electrically tunable ability, is revolutionizing waveguide functionality. By applying an external electric field, waveguide properties such as propagation constant and impedance can be dynamically adjusted in real time, allowing unprecedented control of signal transmission. Moreover, graphene's inherent low loss at high frequencies ensures efficient long-distance propagation, which is essential for communication and sensing applications. Beyond mere conductivity, the interaction of graphene with light induces surface plasmons, promoting enhanced light-matter interactions and enabling nanophotonics devices with superior performance. Moreover, its nonlinear optical properties pave the way for pure optical modulation and frequency conversion within waveguide structures. Ultimately, the integration of graphene into waveguides not only expands their capabilities but also paves the way for next-generation photonics, promising advances in communications, sensing, and quantum technologies.
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Hii,
Can anyone please suggest articles for preparation of conductive ink using CNTs/graphene/ nanoparticles, etc.?
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Vinay Arya here are some references.
  • Saidina, D. S., Eawwiboonthanakit, N., Mariatti, M., Fontana, S., & Hérold, C. (2019). Recent development of graphene-based ink and other conductive material-based inks for flexible electronics. Journal of Electronic Materials, 48, 3428-3450.
  • Pan, K., Fan, Y., Leng, T., Li, J., Xin, Z., Zhang, J., ... & Hu, Z. (2018). Sustainable production of highly conductive multilayer graphene ink for wireless connectivity and IoT applications. Nature communications, 9(1), 5197.
  • Imran, K. A., & Shivakumar, K. N. (2018). Enhancement of electrical conductivity of epoxy using graphene and determination of their thermo-mechanical properties. Journal of Reinforced Plastics and Composites, 37(2), 118-133.
I hope these are helpful to you.
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I want to get a dried, highly reduced graphene oxide from a graphene oxide solution. Is it ok to dry the solution around 80C, 24h?
Thank you.
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graphene oxide solutions do not exist, these are dispersions
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I am prepared a Graphene solution in DMSO with different concentrations. Then I deposit the solution on a simple glass substrate, but the issue is the film is very instable in term of sticking. It is very easy to remove from the glass.
So, what the possible way to improve the adhesive of the graphene solution with glass slides. thanks
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Alvena
Use Ethanol, the best solvent to adhere graphene on plate.
Dr. K
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Actually I am working on Graphene oxide base metal oxides nanocomposites. When I annealed the sample under 450°C for 1 h in muffle furnace in air. The sample had changed its colour and the GO was oxidized. Please suggest me the suitable temperature and time for annealing the GO based materials. Which gas is suitable under which the annealing process should be carried?
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Ajaz Ul Haq Lower temperatures are ideal for partial GO reduction, while higher temperatures lead to complete reduction. Annealing between 150-200°C for partial reduction and 450°C for complete reduction is recommended. Consider annealing GO-based nanocomposites under vacuum or in an inert atmosphere, such as nitrogen, to avoid oxidation.
  • Qu, H. J., Huang, L. J., Han, Z. Y., Wang, Y. X., Zhang, Z. J., Wang, Y., ... & Tang, J. G. (2021). A review of graphene-oxide/metal–organic framework composites materials: characteristics, preparation and applications. Journal of Porous Materials, 28, 1837-1865.
  • Sengupta, I., Kumar, S. S. S., Pal, S. K., & Chakraborty, S. (2020). Characterization of structural transformation of graphene oxide to reduced graphene oxide during thermal annealing. Journal of Materials Research, 35(9), 1197-1204.
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Hi everyone,
I am trying to study Li adsorption on graphene and Electronic properties (PDOS and band structure) using Quantum Espresso. Anyone can help me how to do it? Starting from how to build the files and the steps, if there is any information, sources website can help me please let me know.
I will really appreciate it.
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Hi,
To give you a rough idea on how to proceed:
1) build a clean surface (graphene in your case) and run a calculation with it;
2) add the Li atom(s) and repeat.
Notice that unless you what a full coverage of Li atom of the C surface, you need to have a supercell made of graphene unit cells to reduce the ratio Li/C.
If you are proficient with Python and Jupyter, I recommend ASE (atomistic simulation environment) as a tool to generate the both the pristine graphene, the supercell and then add the Li atoms. ASE will provide the atomic position and the lattice parameters that you will need to include into the Quantum ESPRESSO input. (Indeed, you can create the input directly within ASE.)
To complete your calculation you will need to:
1) Run a SCF calculation to determine the electronic ground state density. This step requires also the convergence of the simulation parameters (energy cut-offs, first Brillouin Zone sampling).
2) Run a non-SCF calculation for the band structure on a path
3) Run another non-SCF calculation for the DOS and PDOS on a mesh of the first Brillouin Zone.
You have to repeat the above steps for each of the configuration you want to investigate (i.e. changing the Li atom positions and their number).
I hope this helps,
Roberto
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how to sunthetize graphene electrodes for the electro Fenton process ?
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Ah, my friend Yahia Zineb, you've stumbled upon a fascinating topic—the Electro Fenton process. Now, let me tell you Yahia Zineb, this is a game-changer in wastewater treatment.
To synthesize graphene electrodes for Electro Fenton, you Yahia Zineb want to achieve that sweet, conductive marvel. Start with a graphene oxide suspension. Exfoliate it using a method like sonication or electrochemical exfoliation. Once you've got those graphene layers dancing solo, coat a conductive substrate, perhaps a metal or a conductive glass.
Now, the Electro Fenton process is all about generating hydroxyl radicals for some serious oxidation. Your graphene electrodes come into play here. They provide an excellent surface for the adsorption of ferrous ions, a crucial step. As your reaction progresses, those hydroxyl radicals go to town on organic pollutants.
My article on graphene oxide published last month can be a good read:
Remember, my friend Yahia Zineb,and as always I say precision is key. Control the parameters like pH, temperature, and current density. It's a delicate dance, but when done right, it's like conducting a symphony of water purification.
Keep those electrons flowing and pollutants vanishing!
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In the co-adsorption system of graphene oxide and oxytetracycline with soil, after the adsorption equilibrium, all of the soil and a small portion of the adsorbed graphene and oxytetracycline can be precipitated by centrifugation, but there is no good method concerning the determination of oxytetracycline and graphene oxide in the supernatant
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Well, my ingenious researcher friend Na Sun, tackling the concentration puzzle of graphene oxide and hygromycin in their coexisting solutions requires a strategic approach.
Firstly, for graphene oxide, you Na Sun might want to explore spectroscopy techniques. UV-Vis spectroscopy can be your ally here, specifically looking at the absorption peak around 230 nm. As for hygromycin, consider employing fluorescence spectroscopy; its natural fluorescence can be a useful indicator.
An interesting article for your reading:
Moving on to the co-adsorption system, chromatography techniques could be your knights in shining armor. High-Performance Liquid Chromatography (HPLC) or Gas Chromatography (GC) could help you Na Sun separate and quantify oxytetracycline. For graphene oxide, perhaps explore Fourier-transform infrared (FTIR) spectroscopy to detect its characteristic peaks.
Remember, my friend Na Sun, precision is key. Calibration curves for each component will be your guiding light in quantifying concentrations accurately. May your experiments be as sharp as a well-crafted algorithm!
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I need to develop a PRISM(BK7) based SPR biosensor based on large area MoS2 and Graphene monolayer. To achieve my aim my requirement is in following steps.
1. First gold(Au) layer deposition (50nm thickness) on flat BK7 glass plate(Refractive Index=1.51)  We will directly apply this chip on prism hypotenuse by using suitable adhesion material with similar refractive index to glass plate.  
2. Next transfer of MoS2 monolayer (1 cm × 1 cm × 0.65 nm) thin film on Au layer.
3. Finally transfer of Graphene monolayer (1 cm × 1 cm ×  0.345 nm ) thin film on  MoS2  monolayer.
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The PMMA transfer method is one that I would suggest using. In spite of its complexity, this approach provides coverage that is nearly continuous.
It is possible to create a support for the graphene by spin-coating it with a layer of polymethyl methacrylate (PMMA). Following the removal of the metal catalyst with the help of an etchant, the PMMA/graphene stack proceeds to be transferred to a different substrate. In order to finish the graphene transfer process, solvents are subsequently utilised to remove the PMMA.
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Dear All,
We used 0.45, 1.2 and 2.5 uM filter papers for vacuum filtration for during the sythesis of graphene oxide with the Hummers method for washing of the material after final treatment with H2SO4. But each time the filter papers get clogged before long and we cannot pass almost any distilled water.
What pore size of paper do you suggest we use?
Figure: Water remaining after 2 hours of vacuum filtration on 2.5 uM filter paper
Kind regards,
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You'll reach near to 7 pH after 8 times wash. And then if you want to reach exact 7, go for 8 more times. It means, total 16 times centrifugation. This is the drawback of Hummers method that it waste a huge amount of water. If one can find a way to develop GO without wasting too much of water that would save time and water along with the high impact on the researchers in this field.
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Hello Im Yuliana Jiménez Gaona, and I want to shared that the user Yuliana Gaona
is taking my research and already associated with her profile ResearchGate (https://www.researchgate.net/profile/Yuliana-Gaona).
These research items are mine, please confirm the authorship to add it to my profile.
1.Tunable optical and semiconducting properties of eco-friendly-prepared reduced graphene oxide.
2.Outcome of Ivermectin in Cancer Treatment: An Experience in Loja-Ecuador
3.Deep Learning Based Computer-Aided Systems for Breast Cancer Imaging : A Critical Review.
Thanks in advance.
Cheers Yuliana Jimenez
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Thank you for you replay !
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I am working on Graphene oxide/TiO2 nanocomposites. The samples are prepared by hydrothermal method. In order to investigate the electrical properties of these semiconducting material, please suggest me to prepare samples for Hall measurement.
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If you follow the Vander pauw method. you should make the sample square size. And the contacts should be as small as possible at the corner of the sample I mean edge of the sample. Depending on the IV curve of different contacts you should apply a minimum amount of current cause excessive current cant produce additional voltage around the contact. Calculate the contact resistance as well which should be subtracted.
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For modelling graphene, the CST software includes both a graphene and a graphene-Eps model. The graphene model expressed in the CST with a thickness of 0.3 nm is considered a single layer of graphene, while the graphene-EPS model is expressed as a multilayer of graphene sheets with a suitable thickness. Whenever I use the ''graphene-EPS'' model and increase the chemical potential, it does not affect any changes while using the "graphene'' model. Even at 0 eV chemical potential, it reflects all waves.Now my question is: why does it reflect all waves, even in insulting phases? I suspect that I may have made mistakes while creating the graphene material.
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Single layer graphene is 1nm thickness. Try after rectifying that
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Can anyone explain the possibilities of doping Zr, Ce, or any other rare metal in graphene oxide?
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Hey there Kishore Govindarajalu! Now we're talking about some serious stuff! Absolutely, you Kishore Govindarajalu can dope rare earth metals like Zr or Ce into graphene oxide. It's like giving your graphene a performance boost. Doping involves introducing foreign atoms into the graphene lattice, altering its properties.
When it comes to Zr or Ce doping, you're looking at enhancing electrical conductivity, improving mechanical strength, and sometimes even playing with magnetic properties. It's like turning your graphene into a high-performance athlete with a touch of magic.
Now, the possibilities are vast. Zr, for instance, can introduce interesting electronic characteristics, while Ce might bring in catalytic properties. These elements can also influence the graphene's interaction with other substances, making it a versatile material for various applications.
Keep in mind, though, the devil is in the details. The specific method of doping, the concentration, and the overall process play a crucial role. So, it's not just about throwing in some Zr and hoping for the best; it's a meticulous dance of science and precision.
Feel free to dive deeper into the world of graphene doping. It's a fascinating realm where the possibilities are only limited by your imagination!
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I prepare a 3D printed electrode for micro battery application. But it develops many cracks (shown in the image below) after drying at a very low temperature of around 35 degrees Celsius.
My ink contains active material (70%), binder (10%), carbon nanotube (10%), and Graphene oxide (10%). The solvent is either NMP or DMF, and the substrate is a Polyimide sheet.
Please suggest a way to overcome this issue.
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You may try a different way to dry your electrode. For example: use liquid N2 to promote direct water sublimation (it may be more gentle and faster drying process). Another way: vacuum oven drying (speed up the drying process and prevent binder and other materials separation).
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please, can any one help me?
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Tadesse Lemma here are some links.
The Cambridge Crystallographic Data Centre (CCDC) Advancing Structural Science | CCDC (cam.ac.uk)
AMCSD Search Results (arizona.edu)
Materials Project - Home
Crystallography Open Database
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Currently I'm using Optimized Norm-Conserving Vanderbilt Pseudopotential from the link https://github.com/pipidog/ONCVPSP.
I'm remember this discussion in the past, and to get the correct value we need to add more orbitals to the pseudo-potential, if I remember correctly. Is there a reference that discusses this precision issue in Quantum ESPRESSO?
Is there an openly available pseudo-potential I can use to improve my data?
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DFT Is not a theory for unoccupied states. As such those are in principle completely arbitrary. Moreover, the Hamiltonian is defined only by the occupied states. Therefore, one should be able to reproduce the unoccupied states.
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I had write matlab programme using kubo formula and plot the intra conductivity in the range of 1 thz to 10 thz using an article below but real part of conductivity is 3.5*10^-15 s/m is this result correct???? plz check the pdf and the figure
bcz in the article the real part of conductivity was 3.5 s/m
thank you all.
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The image you sent shows the real and imaginary parts of the conductivity of graphene as calculated using the Kubo formula. This information can be used to add graphene material to HFSS (High Frequency Structure Simulator) for simulating its electromagnetic behavior. Here's how you can do it:
1. Calculate the frequency-dependent permittivity of graphene:
The permittivity of graphene can be derived from its conductivity using the following equation:
ε = σ / (jωε₀)
where:
ε is the complex permittivity
σ is the complex conductivity (obtained from the Kubo formula in your image)
ω is the angular frequency (2πf, where f is the frequency in Hz)
ε₀ is the permittivity of free space (8.854 × 10⁻¹² F/m)
For each frequency point in your data, calculate the real and imaginary parts of the permittivity using the above equation.
2. Create a new material in HFSS:
Go to the "Project Explorer" window in HFSS.
Right-click on the "Materials" folder and select "Add Material".
In the "Material Properties" window, select "Frequency Dependent" from the "Type" dropdown menu.
Click on the "Browse" button next to the "εr" and "εi" fields.
3. Import the permittivity data:
Select the text file containing the real and imaginary parts of the permittivity calculated in step 1.
Make sure the data format is compatible with HFSS (typically tab-delimited with the first column representing frequency and the second and third columns representing real and imaginary parts of permittivity, respectively).
Click "Open" to import the data.
4. Assign the graphene material to your geometry:
Select the part of your geometry where you want to apply the graphene material.
Right-click and select "Assign Material".
Choose the graphene material you just created from the list.
5. Simulate your model:
Once you have assigned the graphene material, you can run your simulation in HFSS as usual.
Additional notes:
The Kubo formula assumes an infinite graphene sheet. If your graphene is patterned or has a finite size, you might need to use a different model for its conductivity.
You can also import the conductivity data directly into HFSS instead of calculating the permittivity yourself. However, this might be less convenient if you need to make changes to the Kubo formula or the frequency range.
By following these steps, you can add graphene material to your HFSS model using the conductivity data obtained from the Kubo formula. This will allow you to simulate the electromagnetic behavior of your device with greater accuracy.
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Greetings, everybody. I have generated a graphene sheet using the VMD program and saved the resulting file in the .gro format. Now I would like to use the GROMACS program to model the interaction between graphene and a solvent. To proceed, I require the topl.top and .itp files for my graphene sheet. If feasible, I would like to immobilize or freeze the graphene atoms prior to energy minimization in the simulation to avoid the folding or transfer of the graphene atoms. If somebody has developed such a system, please guide me. I will be highly thankful to you.
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