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Dear Researchers,
Despite careful data collection and analysis, the plot appears to be broken at several points (image attached). These breaks seem to deviate from the expected pattern, and I'm struggling to pinpoint the exact cause.
I've performed necessary pre-processing steps, and followed standard procedures for Nyquist plot construction, however, these unexpected breaks persist.
Could anyone provide insights into potential factors that might lead to such breaks in a Nyquist plot? Are there specific pitfalls or common mistakes that could cause these deviations from the anticipated plot pattern?
I'd greatly appreciate any guidance, suggestions, or experiences that could shed light on identifying and rectifying these issues in the Nyquist plot. Additionally, if any relevant literature, methodologies, or alternative approaches might address this problem, I'm eager to explore those avenues.
Thanks in advance!
Harsha
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I recommend you validate your data with the Kramers-Kronig test first to know if the strange data points are from your sample or your machine?
Additionally, it is nearly impossible to determine the root without detailed information about your experiment.
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Hi all respected researchers,
I want to do a study focused on studying the electrochemical properties of polymer composite samples. The current method I have used is by the conventional method, which is 3 electrode system,
where;
i) reference electrode = Ag / AgCl system,
ii) counter electrode = glassy carbon,
iii) working electrode is my solid sample.
These electrodes are then immersed into an electrolyte solution containing 1M LiClO4 in a mixture of 1:1 EC:THF solvent.
However, I have been doubting about the data (Nyquist Plot) of my solid sample that I will include in the Attachment. This is because the data seems to have so high in resistance, which I suspected due to liquid electrolyte used.
So, can you tell me if the technique I'm using suits my solid sample condition? If not suitable, please suggest a suitable technique so that accurate data can be obtained for my polymer electrolyte sample.
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When you say you're interested in the electrochemical properties of the electrolyte, do you really mean the ionic conductivity? That's the value most people declare in publication, even though it's not often very meaningful, and there are many other electrochemical properties that could be analysed.
For EIS measurements with either 3 or 2 electrodes, have you considered simply pressing contact pins against your electrolyte and connecting to instruments cables? As long as you establish contact pressure between pins and the polymer surface, this works for EIS on solid electrolyte. You can also quantify ionic conductivity as the resistance measured by a high-sensitivity ohmmetre, like a Keithley or a four-point probe. I wouldn't mess around with coin cells, that will only introduce more interfaces and noise.
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Below is my fitted data of FL lifetime of a compound in solid state after fitting into biexponential components which shows one component to be positive amplitudes (denoted by B) and the other with negative amplitude. Is the negative amplitude part the risetime of another species from the decaying one? Any expert advise is appreciated.
- Bidyut
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Thank you Prof. Pansu . I shall have a look.
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I am modeling the phase change material in FEM, initially the material is solid state,and the heat supplied by laser scan on the top surface, due this heat source of the model get transform form some part into melt and the remaining part in solid state. Further, i want cool down the model to again melt becomes solid state. To model the such a phase change material, I have define the single form Navier-Stokes equation for solid and melt to balance momentum.
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Anther book that presents dense solids, liquids and gases with the a similar approach, i.e. using an interatomic potential is:
"Statistical Thermodynamics: An Engineering Approach" by John W. Daily. Cambridge University Press, 2019.
It has an appendix D called: "Multicomponent, Reactive Flow Conservation
Equations" pp. 236
KInd Regards.
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How can I transform a liquid bacteria protein (DNA or other ) into a solid state?
is there a method suitable for preserving protein structure without changing it?
for use in immunization lab animals. and analysis of protein structure by XRD to contact with immune cells by imitation program.
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it seems to me that you miss some steps. DNA and proteins are not the same thinkgs, you need to do some work to pass from DNA to protein
To produce the protein to be immunized in the mice, you have to amplify the dna by PCR, clone it in a vector for protein expression in some host as e.coli and/or mammalian and at this point try to express and purify the protein from this organism. The purified protein that could be used for immunize animals is in general stored at 4°C or -20°C (for long terms) in a buffer as PBS or Tris and in some cases with the addiction of glycerol for storage at -20°C
Alternative, you can try to immunize animals with DNA or mRNA (the same tecnology applied for the covid vaccines). In this way you do not have to purifity the proteins since the protein is produced by the cells of the animals, but the preparation and formulation of matherial is something not so simple, you need to have specific experience.
best
Manuele
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I am coding a solid-state NMR pulse sequence on SIMPON (attached file) but I get this error (error: acq overflow in fid points) that I don't know what it means. Does anyone knows what it means?
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Forgot to attach the code....
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I want to analyze O1s peak from different samples grown at different temperature. I am confused how to compare them. I see few options like plotting them in origin and substract background. Also i can do normalization in casa xps. I tried to do by taking a reference point and also with taking average points normalization. The BG and normalization are showing different results in terms of intensity. Could you please suggest me best way to compare them? I trust BG more because that fits with min to maximum peak intensity difference when every peak is analysed separately.
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Dear Scien Tist,
The binding energy of your Ba 3d_5/2 peak is way too high with 808 eV. Either someone really messed up the calibration of your system, or, what I think is more likely, your material is not conductive enough and you observe charging. Are the binding energies of other peaks, like O 1s or C 1s, where you would expect them to be?
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Solid state electrical conductivity.
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I feel like the question is quite vague. Which metal complex, with which other metal complex? Or what class of complexes with what other class of complexes? It's not at all clear if you are referring to metalation, substitution, doping, counterions, auxilary ligands or what?
The way the question reads you have a metal complex and you are unhappy with it's solid state properties. So make another, and test it's properties. Or specify in more detail what it is that you are trying to accomplish.
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what is the charge transfer mechanism in 100% solid lithium ion batteries?
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Correlation of magnetic and dielectric properties in EuMn2O5 single crystals Soviet physics. Solid state. 1992, Vol 34, Num 1, pp 56-59 ; ref : 9 ref
ISSN0038-5654Scientific domainCondensed state physics
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I'm sorry, I didn't find this article in English. Here it is in Russian.
Perhaps you can translate into English format.
Good luck!
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Solid- state methods
Carbon dots
Quantum yield
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Thank you for your reply... Li Jiurong
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I have crystal structure of a compound (a salt) which is a triclinic cell. Now I want to determine the radius of cation and anion. How can I do it please explain.
Many thanks in advance.
Looking forward...
Sandipan
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Of course, all programs that are used to display crystal structures (like Jmol, Vest, Atoms, Diamond etc etc) will have a tool to measure the distance between a pair of atoms. Just look at the manual of the program you use.
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is xrd pattern depend upon the process of our material ? the xrd peak depend upon the process of material such as solid state , chimerical route.
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XRD pattern is obtained due to periodic arrangement of the atoms in the material. Preparation processes such as sintering, annealing or other such methods affect the ordering of the atoms. Therefore, the XRD pattern depends on such processes.
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It is known that there is a conformational equilibrium in monosaccharides in solution (alpha, beta, pyranose, furanose). Does this also happen when they are in solid state? Or is there a preferred form in solid state?
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As I know, crystal structure of simple molecules and atoms may strongly differ from their packing structure in liquid state. It is due to this state allows to exist there aggregates with symmetry axis of 5th or 7th order impossible in solid crystals. So, the monosaccharides may have really different distribution of conformational forms in solid state. Moreover, the distribution of these forms should depend on the paths how the solid state comes from the liquid one. And after that we may consider the resulted distribution of forms to be almost frozen and unchanged.
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How can current issues in both conventional and solid-state additive manufacturing processes? What are the various metallurgical solutions available for effectively eradicating interlayer defects in additive manufacturing?
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Both conventional and solid-state additive manufacturing processes have their own set of issues. Some of the current issues in conventional additive manufacturing processes include poor surface finish, poor accuracy, and limited design complexity. On the other hand, solid-state additive manufacturing processes suffer from issues such as residual stresses, anisotropy, and interlayer defects.
Interlayer defects are one of the most significant issues faced in additive manufacturing. These defects can result in poor mechanical properties, lower product quality, and even product failure. There are several metallurgical solutions available for effectively eradicating interlayer defects in additive manufacturing. Here are a few examples:
  1. Heat treatment: Heat treatment is one of the most common metallurgical solutions used to eliminate interlayer defects. It involves heating the product to a specific temperature and holding it there for a certain amount of time. This process can help to relieve residual stresses and minimize the formation of interlayer defects.
  2. In-situ process monitoring: In-situ process monitoring involves monitoring the manufacturing process in real-time. This allows for any defects or issues to be identified and addressed immediately. This can help to prevent the formation of interlayer defects and ensure product quality.
  3. Material selection: The selection of the appropriate material can also play a significant role in eliminating interlayer defects. The material's properties, such as its melting temperature and viscosity, can affect its behavior during the manufacturing process. Choosing a material with suitable properties can help to minimize interlayer defects.
  4. Process parameter optimization: The optimization of process parameters such as temperature, layer thickness, and feed rate can also help to reduce interlayer defects. Fine-tuning these parameters can help to improve product quality and reduce the formation of defects.
Overall, the effective eradication of interlayer defects in additive manufacturing requires a combination of metallurgical solutions. By implementing a range of solutions such as heat treatment, in-situ process monitoring, material selection, and process parameter optimization, it is possible to significantly reduce interlayer defects and ensure high-quality products.
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Hydrogen tank prices
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Metal hydride tanks prices can be calculated from the amount of MOC (material of construction) required. For instance, if want to carry 5 kg of LaNi5 alloy, you have to design a reactor which can contain atleast 12 kg of the alloy (considering 0.5 porosity and 20% of expansion volume). Now, the amount of MOC can be evaluated from density of the MOC multiplied with volume of MOC. Now just multiply per kg price of that material with this.
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i am running DSC on my PU samples to check on the Tg and Tm. i used aluminium foil, purged with nitrogen gas, 10 degree celcius/min, temperature range 25-250 degree celsius. but the graph was not showing a good result. what should i improve? or i have done wrong somewhere? by the way my sample is in solid state.
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We have obtained the similar curve for DSC of rigid PU foams
You have melting peaks of PU components
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Which factors affect the self-starting capability and mode locking stability in a solid state mode-locked laser?
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Thank you very very much for the exaustive and precise answer. I have forgotten to give some relevant information: I am working with an oscillator with a modelocking repetition rate of 80 MHz and the mode-locked mode is achieved in a passively way by means of a SESAM.
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I would like to know the existence of possible ways to separate mycelium after the solid-state fermentation of waste material.
I know about the membrane culture process for mycelium but couldn't find a good source/way to separate mycelium biomass from solid-state fermented materials other than agar mediums.
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I think you found the best solution in the isolation of mycelia on agar medium from solid-state fermentation products on agar plates, If you see that your culture sporulating during fermentation you can use heat treatment of the sample before isolation to exclude growing any non-spore-forming microorganisms during isolation.
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How long will it take to do solid state 1H and 13C NMR of supramolecular structure like MOFS, COFS and self assembly molecuels. Is single crystal solid state NMR possible?
Thank you
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Hi Vishal
1H and 13C on single crystals are both possible - just quite difficult as you need a goniometer probe (which are in short supply).
As powders they should be quite routine with MAS NMR, as long as they are in high enough concentrations.
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Dear crystallography community,
in compounds which containing F- and O2- anions I think usually the O2- prefere a tetrahedral environment and the F- a triangle of cations. If you want to write "O2- prefere the tetrahedron and F- the triangle" in a manuscript, some references are needed.
So my question is, do somebody know a review article about coordinationsnumbers in ionic solid state compounds, which could be cited?
Best regards from Germany
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Hello
you can see these articles:
Introduction to Coordination Chemistry (Inorganic Chemistry: A Textbook Series) by Geoffrey A. Lawrance | Mar 15, 2013
Essentials of Coordination Chemistry: A Simplified Approach with 3D Visuals 1st Edition, Kindle Edition by Vasishta Bhatt (Author)
Coordination Chemistry by Joan Ribas Gispert (Author)
Concise Coordination Chemistry Paperback – 1 January 2008 by R. Gopalan (Author), V. Ramalingam (Author)
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1. In all solid state battery half cell systems, the first charge capacity is very high than 1st discharge capacity.
All of the differences are from the side reactions between electrode and solid electrolyte?
2. In many papers, all solid state battery show lower discarge capacity than Li ion battery. (ex) NCM811 200mAh/g>180mAh/g) Is this loss from the poor contact between solid electrolyte and cathode or have another reason?
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Hi Oliver,
I think the first part of your question has been answered previously by Dr. Kuksenko. You can check it out to get more perspectives.
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Using the Boltztrap and Quantum espresso I was able to calculate the electronic part of thermal conductivity but still struglling for the phononic part of thermal conductivity.
I tried the SHENGBTE but that demands a good computational facility and right now I am not having such type of workstation. Kindly suggest some other tool that can be useful for me in this regard.
Thanks,
Dr Abhinav Nag
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@Abhinav Nag
The modified Debye-Callaway model can be used to calculate the thermal lattice conductivity. See, for example, DOI: 10.1016/j.jpcs.2022.111196
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Q1. How can we find oxidation potential, reduction potential and voltage window of ceramic pellet electrolyte using cyclic voltammetry?
Q2. In case of cell fabrication of ceramic pellet solid state electrolyte, there is need to use separator?
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Thankyou
Vadim S. Gorshkov
for your answer.
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I was planning to measure the conductivity of ceramic-based solid-state electrolytes using a standard EIS instrument. I have pellets prepared and will plan to coat Au or Ag onto the surface. But I found only vague descriptions in the literature about how to proceed with conductivity measurements.
Do people put the Au/electrolyte/Au assembly into a coin cell and measure EIS? (like Li/electrolyte/Li CR2032 is used all the time). Or will there be any specific connections needed to perform such a measurement?
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The lack of answers offered so far could be an indication of confidence levels by solid-electrolyte researchers in their own experimental setups!
The coin cell package is full of variables and impracticalities, so I would not start with that. After asking around, the few battery researchers who would share their experience with me have admitted to using conductive glue products - not sputtering - to attach electrical contacts to their solid electrolyte. I'm about to start this myself, using a silver-containing resin purchased from a trusted supplier.
Based on my trials on variability between identical coin cells, with standard electrodes and liquid electrolyte, I'd be very wary of using them unless absolutely necessary. Since you have no risk of leakage, and usually fewer chemical safety hazards to mitigate, a setup with direct contact (such as crocodile clips on gold pins) to either side of the ceramic electrolyte will likely be more repeatable.
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There are many companies working on solid electrolytes, but what can solid electrolytes do? No solid-state batteries are currently in commercial use. Solid-state batteries also have many scientific and engineering problems that cannot be solved
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A solid-state electrolyte would have two major advantages (asuming that you find one with sufficient stability and conductivity):
1) It will form stable interfaces to the electrodes (being solid, you may even have the possibility to sandwich two electrolytes - one stable towards the anode and one stable towards the cathode)
2) The transference number of the active ion (e.g. Li+) will be 1 in a true solid-state electrolyte. This will have the (often overlooked ) advantage that you can use thicker electrodes, as the electrode utilisation will not be limited by salt depletion, as is the case with liquid electrolytes - see e.g. K. West, T. Jacobsen, and S. Atlung: “Modeling of Porous Insertion Electrodes with Liquid Electrolyte”. J. Electro­chem. Soc. 129 1480‑85 (1982).
To get a sufficiently high conductivity in a solid-state electrolyte is, however a problem that apparently is not solved at the moment ;-)
Keld
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Hello Everyone,
I am able to sucessfully run scf.in using pw.x but while proceeding for the calculations to be done using thermo_pw.x the following errors occur.
Error in routine c_bands (1):successfully
too many bands are not converged
I have already tried increasing ecut, ecutrho, decreasing conv_thr, reducing mixing beta, reducing k points and pseudopotential too.
but none of them are helpful to fix the issue.
Someone who has faced this error in thermo_pw please guide,
Thanks,
Dr. Abhinav Nag
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Do you mind sharing the input files for the scf and the thermo_pw calculations?
Did you try to see if there is any mistakes in the input for thermo_pw?
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An EPR spectrum of an organic compound was recorded on solid state which resonated at around 83 mT but on calculating the g-factor the value came out be nearly 8.00 which is too high than expected. What could be the possible reasons?
Any suggestions are appreciated.
Thank you
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Sergei V. Kuzin Thank you, I think I need more deep analysis towards this.
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i mean any example for "idea to application" in the case of solid state hydrogen storage systems like liquid hydrogen and compressed gas. is there any patent or any research journals regarding that?
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James Dewar was the first who obtained the solid hydrogen in 1899. Solid hydrogen has a very low density of 0.086 g/L (compared with 0.050g/L for the liquid form). Thus, you don't have any reasonable improvement converting hydrogen from liquid to solid state.
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Hello!
I have a question about when you can use a Tauc plot to help estimate the experimental band gap (Eg) - I know initially it was used for semiconductors. Can you still estimate it based on the absorbance of a liquid solution or must it be in solid state?
I found one paper that claimed they did so, but I want to double check whether that is indeed correct; some people have told me that it can only be in solid state. I have attached it here: In particular, I am wondering if the general Tauc equation could be used or must the Tauc/Davis–Mott model and its equation 𝛼h𝜈=K(h𝜈−Eg)1⁄2 assuming that it can be done using the UV-Vis absorbance data from a solution.
Thank you!
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Katı halde veya sıvı halde olabilir. Onu kendi çalışmana göre yapacaksın. Uv kullanılırsa Katı ve sıvıda farklı olur.
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Hi dear friends
I've faced a problem. working on garnet-type All-Solid-State lithium-ion batteries, I carried out a Raman test on Li7La3Zr2O12 solid-state electrolyte with two different wavelengths (532nm & 785nm). surprisingly, some peaks disappeared, and some others popped up! resulting in completely different graphs. I repeated the tests, but the results were the same. Do you have any idea about the problem? I thought the peaks' location is independent from test conditions.
Thanks for your time, in advance.
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With two different laser wavelengths, there can be different Raman spectra.
1. You change the wavelengths, but you also change the place where the beam falls on the crystal structure.
2. Raman spectra are complicated by fluorescence.
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We are trying to simulate solid state 13C NMR using CASTEP followed by MagRes using the following steps. But we are missing correlation between experimental and simulated chemical shift values:
Please let us know if we are missing any important steps.
1. Crystal structure was geometrically optimized by opting NMR shielding and EFG.
2. The generated MagRes file was viewed in the corresponding website for the simulated.
a. We noticed that MagRes is reading the crystal structure always in P1 space group.
3. To correlate experimental Vs Simulated values, we have used the following equation
δiso(sample) = σcalc(ref) – σcalc(sample)
4. Can you please let us know how to get σcalc(ref) from MagRes
a. Please suggest best reference for carbon atoms associated with various functional groups.
5. Is σcalc(sample) is one of three calculated tensors or average of three calculated tensors or is it what we are visually see in the simulated spectra in the MagRes
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Thank you Philip Hasnip. Your answer is helpful. I will get back up to you if get any issues while computing.
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Hello dear researchers
Does doping change the space group of a compound?
We synthesized a compound and noticed the change of the space group.
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Yes it is possible to observe the effect of doping on the structural, electrical, magnetic and optical properties of a compound. But each effect will depend on the type of compound, the element used for doping and its concentration. More details of your research are needed to better discuss your results.
Best regards
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Dear RG community members, this pedagogical thread is related to the most difficult subject among the different fields that physics uses to describe nature, i.e. the physical kinetics (PK). Physical Kinetics as a subject is defined as a “method to study physical systems involving a huge number of particles out of equilibrium”.
The key role is given by two physical quantities:
  • The distribution function f (r, p, t), where r is a vector position, p is a linear momentum and t is the time for the function f which describes a particle in an ensemble.
  • The collision or scattering term W (p, p¨) gives the probability of a particle changing its linear momentum from the value p to the value during the collision.
If the following identity is satisfied for the distribution function df (r, p, t) / d t = 0, then we can directly link PK to the Liouville equation in the case that the distribution function does not depend on time directly. Physics students are tested on that, at the end of an advanced course in classical mechanics, when reading about the Poisson brackets.
However, is important to notice that not all phys. syst. are stationary and not always the identity df /d t = 0 follows, i.e., the distribution function - f is not always time-independent, i.e., f (r, p) is just true for some cases in classical and non-relativistic quantum mechanics, and the time dependence “t” is crucial for the majority of cases in our universe, since is out of equilibrium.
In addition, physical kinetics as a “method to study many-particle systems” involves the knowledge of 4 physics subjects: classical mechanics, electrodynamics, non-relativistic quantum mechanics & statistical mechanics.
The most important fact is that it studies the scattering/collision of particles without linear momentum conservation p, where: the time dependence & the presence of external fields are crucial to study any particular physical phenomena. That means that PK is the natural method to study out of equilibrium processes where the volume of the scattering phase space is not conserved & particles interact/collide with each other.
If the phase scattering space vol is not conserved, then we have the so-called out of equilibrium distribution function which follows the general equation:
df (r, p, t) / d t = W (p,p¨), (1)
where: d/dt = ∂/∂t + . ∂/∂r + p´. ∂/∂p, with units of t -1or ω/(2π).
The father of physical kinetics is Prof. Ludwig Eduard Boltzmann (1844 – 1906) [1]. He was able to establish the H theorem which is the basis for the PK subject and also he wrote the main equation (1), i.e., the Boltzmann equation to describe the out of equilibrium dynamics of an ideal gas. & in d/dt are derivatives, p¨ in W is another momentum position
Another physicist who established the first deep understanding and condensed the subject into a book was Prof. Lev Emmanuilovich Gurevich (1904 - 1990). He was the first to point out that the kinetic effects in solids, i.e., metals and semiconductors are determined by the "phonon wind", i.e., the phonon system is in an unbalanced state [2]
Physical kinetics has 3 main approaches:
  • The qualitative approach involves the evaluation of several physical magnitudes taking into account the order of magnitude for each of them.
  • The second approach is the theoretical approach which involves complicated theoretical solutions of the kinetic equation using different approximations for the scattering integral such as the t approximation. For graduate courses, I follow [8], an excellent textbook by Prof. Frederick Reif. For undergraduate teaching, I followed the brief introduction at the end of Vol V of Berkeley Phys C.
  • The numerical approach since most problems involving PK requires extensive numerical and complicated self-consistent calculations.
The fields where PK is useful are many:
  • The physics of normal metals and semiconductors out of equilibrium.
  • The hydrodynamics of reacting gases & liquids, quantum liquids, and quantum gases at very low temperatures.
  • The physics of superconductors, phase transitions, and plasma physics among others.
There is a quantum analog to the classical Boltzmann equation, we ought to mention three cases: the density matrix equation for random fields, the density matrix equation for quantum particles, and the Wigner distribution function. Main graph 1 is adapted from [4] to the English language, LB picture from [7], and LG picture from [3].
Any contributions to this thread are welcome, thank you all.
References:
2. Fundamentals of physical kinetics by L. Gurevich. State publishing house of technical and theoretical literature, 1940. pp 242
3. Lev Emmanuilovich Gurevich. Memories of friends, colleagues, and students. Selected Works, by Moisey I. Kaganov et. at (1997) pp 318. ISBN:5-86763-117-6. Publishing house Petersburg Institute of Nuclear Physics. RAS
4. Белиничер В.В. Физическая кинетика. Изд-во НГУ.Новосибирск.1996.
5. Lifshitz E., Pitaevskii L. 1981. Physical Kinetics. Vol. 10, (Pergamon Press).
6. Thorne, K. S. & Blandford, R. D., Modern Classical Physics: Optics, Fluids, Plasmas, Elasticity, Relativity, & Statistical Physics (2017) (Princeton University Press).
8. Fundamentals of Statistical and Thermal Physics: F. Reif Mc Graw-Hill, 1965
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Yes, Prof.
Zachary Knutson
, you are right. Perturbation theory works sometimes, but we must agree that there is not a unique approach to solving the kinetic equation.
I apologize for the late reply.
The reason why perturbation does not work always is that there are many physical phenomena that involve processes out of equilibrium with chaoticity and randomness, in addition to.
  • Nonlinearity.
  • Self consistency.
  • Many bodies.
  • Scattering involving those many bodies
So sometimes if the problem can be linearized, then perturbation can be used, but sometimes.
Let us see, for example, superconductivity by only considering the T different from the 0 K case (Matsubara frequencies is usually and correctly named) and only taking into account the first term in the zero temperature energy gap (that takes into account self-consistency, or another example is the Vlasov equation in the case of linearization for plasmas is a wonderful example of linearization where perturbation theory applies as you stated.
Best Regards.
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Dear all,
what are the possible instruments to use to obtain the purity of a powder (NaCl sold in a pellet form) (has 99% purity or above)?
the cheapest instrument to the expensive one if possible according to your experience
Thank you in advance
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I think recrystallization of NaCl from aqueous solution may be sufficient. because the purity of the chemicals is usually determined using the physical properties of those chemicals
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I'm working on two compositions of bimetallic NP's CuAg and AuSi. By now, I obtained a very small mixed CuAg NP's with an average size about 5 nm. And there are some problems with Au-Si because in the solid-state they are completely insoluble, i.e., they crystallize from the liquid phase in pure form. So due to that fact, I obtained the pure Au NP's and Si layer.
What kind of deposition regimes or treatments after deposition could be suited to obtain arrays of NP's with a size of about 30-80 nm?
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I am trying to understand why it happens in atomic level
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Dear Sohrab,
The previos answer is almist full. This metal has almost zero thermal effect on resistivity. Hence, the net change in length (volume) under the pressure is detected directly (without noise due to heating). Read on the naterial in
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I hope to join to any research group for the purpose of continuing to carry out projects related to experimental physics, especially organic and inorganic perovskites, as well as in the field of solar cells where I have a set of ideas in this field. I hope that there will be an opportunity to work on them.
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Need a postdoc position in computational solid state physics especially Organic inorganic perovskite.
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I have EIS data of charge-discharge of a solid state cell, and I am focusing on studying the performance of the NMC cathode. How can I determine from the plots what is affecting the battery's performance? How do I determine the impedance is high? Thanks
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can you show, please, some EIS plot(s) about your WE (NMC cathode) ?
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Hello, I have synthesized BiVO4 in solid state with Bi(NO3)3.5H2O and NH4VO3 as precursors. First, I have mixed the powders together in an agate mortar during 10 minutes. Then, I have calcined the mixed powders in a tubular oven (450°C, dwell 2h, ramp 2°C/min) and after cooled to room temperature.
Then, I have analyzed the resultant powder in XRD but there are two forms that appeared in the diffractogram : clinobisvanite and dreyerite (sorry I don't put the JCPDS number here). I know that there are a ferroelastic-paraelastic transition at 255°C. Nevertheless, at room temperature, the clinobisvanite form would be the only one to form. So, I don't understand why I have both forms.
Thank you in advance for your answers
Sincerely,
Anthony Dessalle
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You can care about the highest peak
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We want to mass multiply Beauveria bassiana using SSF technique.We need 10¹⁰ spores /g after Harvesting substrates.
Please share best available substrates and harvesting process for high spore yield of Beaveria.
It would be great help if I get best answer for this question !! I Need thoughtful solution and discussion about this subject.
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@Nazia . Thank you for sharing this paper.However I need a practical method by which high spore yield of fungus (around 10¹⁰ to 10¹¹ /g) can be achieved with media optimization!
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Can anyone suggest a well studied powder or bulk sample that I can use as a reference sample for a impedance spectroscopy setup that I'm putting together? I would like some material, preferably a powder, that is easy to obtain, is well studied, and exhibits some futures with temperature and/or frequency. I would prefer a powder that I could compress in to a pellet. Since I'm building the setup, I want to be sure that the problems encountered are coming from the setup itself and not from the sample.
Thanks
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Is it possible to discriminate chiral molecule using Plane polarized laser excitation in the Raman Spectroscopy? What is the effects of P and S polarization in Raman spectra of the chiral molecule in terms of intensity and frequency.
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Paulo Barbeitas Miranda Thank you very much
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Der NMR colleagues,
  • How can one discriminate NH2 from NH3+ reliably by use of solid-state NMR. The difference in 15N chemical shift due to protonation is often smaller compared to changes induced by different crystal-environments.
  • Due to technical limitations (spinning speed < 15 kHz) we do not have the possibility to acquired 1H data (not knowing whether this would help!).
  • I measured buildup-curves [I5Nsingal(cross-polarization time)] of 15N magnetization, but the results were not very convincing.
Big thanks for any idea!
Alfred
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Dear Dr. Ross,
This is indeed a difficult task. My college Gerhard Althoff-Ospelt proposes a 15N HETCORE. Here, the combination of 15N and 1H chemical shift could give rise to the protonation state. Which kind of equipment do you have? A 7mm probe would be advantageous with respect to sensitivity but a 4mm probe would also be suitable.
Another solution would off course be fast spinning and 1H detection.
Many Greetings
Kristof Grohe
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Hi,
I was wondering if anyone has a standard that they use to accurately determine the PLQY of a solid phase sample. We recently bought a new system and the only means that HORIBA gave us for standardization is of a solution of quninine, which is not valid if I'm measuring a solid powder.
Thanks!
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Hi, i'm having the same problem and i couldn't find any of the typical standards (RhB, Rh101, FLuorescein, etc) with the reported solid state quantum yields. Did you solve this issue?
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Why plane polarized laser is best for the Plasmonic material based chiral discrimination using Raman spectroscopy comparing to unpolarized light?
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Anoop Sunny Plasmonic waves combine incident electromagnetic waves and a metal electron gas density oscillation. The electromagnetic wave is transverse oscillation, but with oblique incidence and P (or TM) polarization, there is a longitudinal component that interacts with plasma electrons oscillations. For the electromagnetic wave of S or TE polarization, interacting with electrons density component is absent, so it will not participate in plasmons excitation. If you use for excitation non-polarized light, only its P polarized component will excite plasmons; you will lose half of beam energy.
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I am looking for a Matlab code of optimal placement of SST (Solid State Transformer) in ADN.
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I am not familiar with solid state parameters especially in rectification ratio where my background was in biotechnology,.
Currently I want to calculate rectification ratio (RR) of my sample/device and plot some graph for my paper. However, I found it quite confusing with little to no basics. The formula for RR = IF / IR , where I can plot a graph RR versus V based on several papers that i refered. Unfortunately, I do not know how they got the value based on this table
My question is the graph that i plotted is very weird as i refered to other people's work as attached. And some paper mention use RR value above threshold voltage? I need guidance and help in calculation as well as plotting the graph RR versus voltage.
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Hello
Bring the forward biased voltage and current in sequential columns do the same for reverse then divide IF/IR
plot IF/IR versus VF
This is valid if both forward and reverse biased voltage steps are the same
Good luck
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Hello, I've been generating vacuum potentials for a few work function calculations using VASP and p4vasp (20-30 angstrom slabs). I expected to see a rapid increase in average potential from the surface followed by a plateau that spans the bulk of the vacuum followed by a rapid decline in average potential as the periodic boundary of the slab cell is approached (returning to the potential within the bulk). That is present, but also in the middle of the gap the maximum/minimum potential depart wildly from the average and there is a small dip (around 0.1 eV) in the average before returning to the pseudo-plateau. What is the cause for this behavior in the vacuum potential, and from where should I take readings for the vacuum potential: the adjacent pseudo-plateau, or the reading at the bottom of the "meniscus"? Is this an artifact caused by an insufficient vacuum size? Thanks in advance
-Sean
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Those oscillations are usually due to a poor choice of the vacuum thickness, causing the wave function of one side of the slab to overlap with that of the other side. Increasing the vacuum thickness should fix it.
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I'm trying to cycle solid-state battery with Li-In alloy.
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Preston Guynn Oh really appreciate ur reply. but I think I make u be confused. I mean I wanna know the actual set-up "cut-off voltage" like 1.9-3.7V or 2.5-4.3V.
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Hello everyone,
I am preparing two courses, one for Master students (semiconductors) and another about solid-state physics (PhD students)
Do you have any complete book references with exercises and corrections to prepare for such courses?
I ll have students with different backgrounds so I ll have to do some introductions
Thank you in advance
Joseph
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In addition to the previous post, this old USSR course might help. It is free to read, and a really good reference for the theoretical part:
Best Regards.
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I am trying to correlate the IR spectrum and single crystallography data.
In single crystal IR spectra, I found some inter-molecular hydrogen bonds were stronger (from wavenumber shift), and I think the different hydrogen bond strengths are due to different crystal packing. (At least in single molecule quantum calculations, the -OH wavenumbers are mostly the same)
Is it reasonable that I run QM/MM based on the single crystal molecular geometries (.cif files) and calculate the -OH vibration (freq) to correlate with experimental IR data?
I am not familiar of how single crystal technician actually grab the .cif data, so I am wondering if the cif. files that I received are actually reflecting the molecular packing in real.
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Dear Bryan, the .cif file is the final document which summarizes the results of a single-crystal X-ray structure determination. This is the key document which is e.g. deposited at the Cambridge Structural Database (CSD). For some fundamental information about .cif files please have a look at the following useful article:
The Crystallographic Information File (CIF)
Once you have the .cif file of a structurally characterized compound, you can not only visualize the molecular structure but also the crystals structure including inter-molecular hydrogen bonding networks. As a typical example please have a look at the following publication from our research group:
Supramolecular Layer Structures of Mn(II), Co(II), and Cu(II) Complexes with the 3-(1H-Benzotriazol-1-yl)propaneamide Ligand: Metal Coordination vs Hydrogen Bonding
This paper is freely available as public full text on RG. I hope this helps answering your interesting technical question. Good luck with your work and best wishes, Frank Edelmann
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when a 2DEG is subjected to the magnetic field, the energy is split in the form of Landau levels. and the QHE is explained on that basis. however, in the case of quantized resistance is obtained without a magnetic field. then how Landau levels are formed in QSHE?
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Dear Shlu,
As shown in 4he attached figure , the charge current flows from left to right through a conductor Hall bar. If the charge current is non-polarized (with equal numbers of spin-up and spin-down electrons), the spin imbalance does not induce a charge imbalance or transverse voltage at the Hall cross. If electrons, which are polarized in the direction of magnetization M, are injected from a ferromagnetic electrode while a circuit drives a charge current (I) to the left, a spin imbalance is created. This produces a spin current (IS) without a charge current to the right of the electrode. Spin–orbit interactions again separate spin-up and spin-down electrons, but now the excess of one spin type leads to a transverse charge imbalance and creates a spin Hall voltage, VSH. As the distance, L, between the electrode and the Hall cross increases, the voltage signal decreases, allowing the decay length of spin currents (spin diffusion length lsf) to be measured. More details about SQHE will be presented in Chapter 9 of my Book, about spin transport in nanostructures.
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I am working on solid state electrolyte LATP, but i don't have a reference xrd pattern with which i can analyze my results? Can someone please share the jcpds file with me?
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Fairly comprehensive answer was provided in multiple other threads for databases which I direct you to them. In general, you can look at places like the crystallographic open database (COD) or American Mineralogist. SREC also provides a complete and upkept list of free crystallographic databases. These will allow you to search the composition you are looking for. The only caveat is that you need to check the structures that you use, with something like VESTA.
Previous threads:
Databases:
Good luck!
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I have some organic compounds which are light sensitive. I am planning to study their behavior in the solid state (in the film). the output property is the color change.
Hence, I like to make a transparent film that is dopped or mixed with my photosensitive compound.
Any suggestions to make such a polymer film? what type of polymer I can use?
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Dear Kiran B Manjappa , you did not mention your photosensitive compound or any properties for the polymers. From the top of my head, I suggest using polystyrene due to its remarkable transparency. I guess spin-coating is a well-known method for fabricating polymer coatings that you can utilize.
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This RG discussion (thread) is an open teaching & learning talk about the use of the TB method in the solid-state.
TB has proven to be a very powerful no-relativistic quantum mechanical (NRQM) technic in order to match experimental data and theories in several branches of solid-state where quasiparticle excitations play the fundamental role, i. e., electrons and holes in metals, magnons and phonons, and Cooper pairs among other systems, it helps even in the physics of insulated systems where there is a gap between the conduction and the valence bands.
TB helps to understand more deeply into solids with respect to the free & nearly free electron models. The 3 methods create a wonderful picture of quasiparticles and interactions that take place in solids. In addition, with visualizing tools, TB becomes a very powerful method that can lead to important conclusions and give physical insight into STP complicated problems.
I learned the subject using the IV chapter (electron in a perfect lattice) of the classical book by Prof. Rudolph Peierls “Quantum Theory of Solids”1955 [1]. Later on, the subject of TB was popularized by another couple of classical books: Prof. Ziman’s book “Principles of the Theory of Solids” – 1972 [2] & Profs. Ashcroft and Mermin´s book “Solid State Physics” [3] - 1976. Finally, the TB method was magistrally exposed by Prof. W. A. Harrison, "Electronic Structure and Properties of Solids" [4] - 1980.
TB implies that electrons & holes which are eigenstates of the Hamiltonian are spread entirely on the crystal (like in the free & nearly free eh-models), but that they also are localized at lattice sites (free & nearly free e-models do have no such a requirement). This is a really important statement. In addition, the TB approach for example helps to understand the metal insulation transition by means of the Peierls instability & transition between metallic and insulating solid states [4].
Nowadays, there are important advances, both theoretical such as the one where using a TB approach Prof. Chris Nelson [7] still has the only model that predicted the frustration-based behavior of the structural glass transition in As2Se3, He used TB to fit experimental nuclear quadrupole resonance data (NQR). In addition, with TB there are ab initio ones using this powerful, rigorous but also, intuitive tool in the physics of the solid-state, please see for the latest news on Green functions and TB [8].
All RG community members are welcome to discuss and share teaching and research findings using the TB method. Thank you all in advance for your participation.
Main References:
[1] Rudolph Peierls: Quantum theory of Solids. Clarendon Press, Oxford, 1955.
[2] J.M. Ziman: Principles of the Theory of Solids, Cambridge University Press, London, 1972.
[3] N.W. Ashcroft and N.D. Mermin: Solid State Physics, HRW International Editions, 1976.
[5] W. A. Harrison, Electronic Structure and Properties of Solids, Dover, New York, 1980.
[6] Rudolph Peierls: More Surprises in Theoretical Physics. Vol. 105. Princeton University Press, 1991.
[7] W. A. Harrison
[8] Chris Nelson, A frustration based model of the structural glass transition in As2Se3 201 Journal of Non-Crystalline Solids s 398–399:48–56
[9] S. Repetsky, I. Vyshyvana, S. Kruchinin, and S. Bellucci. 2020. Tight-binding model in the theory of disordered crystals. Modern Physics Letters B Vol. 34, No. 19
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Thank you so much for your post, Prof. Hadi Jabbar Alagealy
Very interesting to know that TB helps in the study & understanding of electron transfer in solid-state devices.
Best Regards.
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Hi,
1. The attached figure is taken from ACS Nano 2013, 7, 11, 10335–10343. My question is why the energy levels are measured relative to the vacuum level? What is the rationalization behind it?
2. Is the concept (or what is the physical meaning) of vacuum energy is applicable for isolated systems like molecules in a cubical box calculated using periodic code like VASP?
Your response is appreciated. Thanks in advance.
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Dear Tumpa,
We do so, as we consider the vacuum level as a reference energy level.
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Please let me know the simulation tool to model a solid state battery which will give the results on temperature variations and voltage
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The solid insulating materials get breakdown at higher voltages than fluid insulating materials. Why is that so? Please explain through atomic/molecular model. Or you can give references to books or research articles so that I can understand from there. Thanks.
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All insulating materials undergo breakdown when the electric field caused by an applied voltage exceeds the material's dielectric strength. Under sufficient electrical potential, an electrical breakdown can occur within solids, liquids, gases or vacuums.
In highly purified liquid dielectrics, the breakdown is controlled by phenomena similar to those for gasses and the electric strength is high (of the order of 1 MV/cm). ... The gas in the bubble has a lower strength than the liquid, so that more gas is produced and the bubble grows, ultimately causing breakdown.
Various factors, such as the shape of electrodes, their area, the applied electric field, gap spacing, the structure and type of polymeric materials, their molecular weight, types of additives, water and gas content, type of voltage waveform used, the pressure of the pregnant (if any), have an effect on the breakdown ...
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There are many types of detectors in high energy physics experiments. For photon detection, there can be PMTs and solid-state detectors employed but what are the typical wavelength ranges measured in these experiments? This may also be inline with Cherenkov detection.
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It basically goes from a few Hz (for certain axion/ dark-matter experiments ) over the Khz to Mhz range (NMR based axion search"CASPER") with a big activity now between 100 Mhz and about 50 Ghz (all sort of cavity based axions search..Primakoff effect) and then lots of infrared, visible to UV PM (photomultipliers and PM like devices (solid state) devices e.g. for scintillator readout
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I am looking for a method to preserve organic volatile compounds such as dimethyl sulfide. if there's a technique can convert it into solid state by absorbing it on some sort of beads or any other technique to be soluble in seawater
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Dear Sinan Battah,
I have only one idea about liquification which is to take the vapour below the critical temperature and pressurise.
This liquid can be preserved in many ways by designing suitable containers.
Thanks
N Das
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I am working on piezo material (PZT) and facing the problem of stoichiometry control due to lead loss during solid-state synthesis. how do minimize it?
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In preparation time you can control the lead loss due to evaporation if you follow some techniques. These are
  1. fired the sample in pellet form,
  2. big size pellet,
  3. slow heating rate and using stepping method and closed type crucible and
  4. sample remove from furnish after cooling and achieving the room temperature.
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Generally, at solid state room temperature, we observed an axial peak with the broad signal of Cu-Cu dimer. But what type of peak is obtained at room temperature solution state for dicopper centers.
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I want to draw your attention to the article: Julia Jezierska, Vladimir Kokozay and Andrzej Ożarowski, EPR studies of spin-spin interactions between Cu(II) centers in dimeric, hexameric and homo- and heteronuclear tetrameric complexes, Research on Chemical Intermediates, Vol. 33, No. 8-9, pp. 901-914 (2007). Best greetings,
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Hi,
I am currently performing some phonon vibration calculations in spin-polarized systems using Phonopy. However, for radical systems in gas phase (CH3*), the results are quite bad, and for solid-state systems with surface reactions I have not been able to generate the forces from the single-point calculations after atomic displacement when spin-polarization (MAGMOM tag) is necessary to be added in the VASP files.
Notes:
- I have experience using Phonopy for non-spin polarized systems;
- This is not a problem of the single-point calculation itself, as the calculations finish successfully.
Has anyone any idea of what could be the reason of spin-polarization effects affect the program? How to fix this?
Thank you in advance.
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Thank you for your explanation. I will try it out.
This line is actually the end of the first (and only) ionic step from OSZICAR, with total energy as the first value and other energy values afterwards.
Thank you again
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If we evaporate Sulphur in a closed chamber along with the MoO3 films, will it convert MoO3 to MoS2?
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Dear Karthik, thank you for asking this very interesting technical question. Yes, the conversion of MO3 thin films into MoS2 films by sulfurization with elemental sulfur is indeed possible. This process has for example been reported in the article entitled "Direct Transformation of Crystalline MoO3 into Few-
Layers MoS2" (Materials 2020, 13, 2293) which can be freely downloaded as pdf file from the general internet. It was pointed out that this process could be carried out at moderate temperatures using simple instrumentation. Elemental sulfur powder was used as sulfurization agent.
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Dear All,
I am working on a problem based on numerical evaluation of heat transfer in a steelmaking process. It involves heat generation and heat absorption via various chemical processes. Let me simplify my question. Hot metal @ 1350C charged into the steelmaking furnace has C,Si, Mn,P along with Fe. These element in liquid form get oxidized to respective oxides and gets heated up to 1600C.
I am interested in calculating the heat of dissolution during this process. For eg in case of Si, it reacts with O2 to form SiO2 that is in solid state at 298K . Now this silicon oxide needs to be dissolved before heating to high temperature (1600C), so an equivalent heat of dissolution is required. How can i calculate this value or is thr any tables that can provide me the value for the same.
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In my recent article on Heat balance in the oxygen steelmaking process, I have mentioned the values. Kindly find the attachment of the link.
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Hi
I would like to test a solid-state supercapacitor with a solid membrane, but I don't know how should I pack and seal it. Can I use a Swagelok cell? Also, what is the electrochemical test procedure?
I mean after the preparation of the electrode and membrane (as an electrolyte) I don't know how I should sandwich and seal it to be ready for tests.
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Dear Ahmad,
yes, in principle, you can use a Swagelok cell[1].
However, you might receive more specific help, if you could share some infos about the materials of the
a) electrodes, and the (water? based)
b) electrolyte (membrane[2]).
1. Electrochemical supercapacitors based on novel hybrid materials made of carbon nanotubes and polyoxometalates https://www.semanticscholar.org/paper/Electrochemical-supercapacitors-based-on-novel-made-Cuentas-Gallegos-Martinez-Rosales/ff2f916b2e6f267db8783ece9cb9e1f7fd53c9cb
2. Proton conducting solid electrolyte-piezoelectric PVDF hybrids: Novel bifunctional separator for self-charging supercapacitor power cell https://www.sciencedirect.com/science/article/pii/S2211285521000124
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Hello all
I am currently working on lead halide perovskites that are bromine-based. The issue with my material is that it falls out of phase very quickly under ambient settings, and I am trying on ways to keep it more stable, such that its PL also does not degrade. Any suggestions on how I can solve this problem?
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Dear Jitesh Pandya many thanks for your very interesting technical question. te synthesis and processing of lead-perovskites is an important current research topic worldwide. Thus there is a large body of scientific literature available worldwide. From the outside it is difficult to solve your specific problem without knowing the detailed reaction conditions (target compound, starting materials, solvent etc.). For an alternative synthesis of methylammonium lead bromide perovskite nanocrystals using ionic liquids please have a look at the following relevant article:
A facile, environmentally friendly synthesis of strong photo-emissive methylammonium lead bromide perovskite nanocrystals enabled by ionic liquids
Unfortunately this paper has not been posted as public full text on RG. However, the Supplementary Information is freely available (see attached pdf file).
Also please have a look at this potentially useful paper:
Blue-luminescent organic lead bromide perovskites: highly dispersible and photostable materials
There are also a number of interesting references describing the crystallization of lead bromide perovskite materials. For example, please go thorough the following Open Access articles:
Synthesis of centimeter-size free-standing perovskite nanosheets from single-crystal lead bromide for optoelectronic devices
and
Optical Characterization of Cesium Lead Bromide Perovskites
Moreover, I strongly suggest that you use the "Search" function of RG to find and access relevant articles in this field. As an example, you could search e.g. for the term "lead bromide perovskite" and then click on "Publications":
This will provide you with a long list of useful articles.
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Does anyone have background on the solid state diffusional velocities of zink into iron?
Does anyone have any illustration of this process as a small video?
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The process takes place as zinc gas forms in a sealed retort that is heated and rotated. Unlike sheardizing and galvanizing the process takes place at as low as 550° F. Properties on the substrate surface are greatly improved and zinc is difused into three different layers. Ususlly used for tension bolting, springs, wear surfaces, screws, rail, earth moving equipment, mining, electrical installation and pole line hardware.
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I am trying to build an aqueous and solid-state zinc-air battery that will utilize a 3-6M KOH solution as an electrolyte. I would like to order a current collector for the air-cathode side and I have been torn between Ti, Ni, or stainless steel mesh.
Both the Ti and Ni mesh are relatively expensive (£100+ for 15cm by 15cm meshes), with Ni possibly contributing to OER activity during charging however likely corrode to form NiO and Ti being generally known for its chemical stability. Furthermore what kind of wire thickness of the mesh would be most suitable? Am I correct in thinking that smaller wire mesh will provide greater contact area and oxygen permittivity, so I should aim for the smallest available?
Would someone kindly provide me with a little bit of advice on the matter? Many thanks
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Hi Szymon,
From what I have seen for alkaline media:
Nickel is chemically resistant, and a good OER catalyst. Can dislodge catalyst during charging.
Titanium doesn't evolve oxygen during charging, but you may get some dissolution initially.
Steel may release ions such as Fe, Cr, Mn over time that can contaminate the zinc electrode.
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I wondered how transient solid-state NMR can be adopted to study the 1D diffusion pathway of of ions in a solid material? What is the relationship between the relaxation time (T1) and ionic diffusion? Any help would be greatly appreciated.
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