Solid State - Science topic

Thank you for your time.

the purpose of Al doping is modifying electrochemical function of NMC at high rate for fast charging. So, based on my idea, solid state method could increase surface stability and electrochemical function during high rate current, if it is correct. I am not sure.

moreover, I reduced the stirring speed to 500rpm after feeding (I forgot to tell)

1. There are several methods to achieve this functionality in Multiwfn; perhaps you can find how it is implemented in the text. It can be roughly seen from the figure you provided that it is calculated based on transition density. There is a Chinese webpage here that describes a similar computational process. It is quite simple, and you can translate it into English to study. http://bbs.keinsci.com/thread-18597-1-1.html

2.Implementing this functionality requires data from excited state calculations, typically the fch file obtained after Gaussian performs TDDFT calculations.

3. Multiwfn (https://sobereva.com/multiwfn/) is a wavefunction analysis software that is very popular in China. It is not open-source, but it is free for academic use, provided that you cite it according to academic norms.

11/14/24

Dear Clara,

Is it possible for you to concentrate the enzyme by precipitating if from the extract? If there is enough protein in the extract, you may be able to precipitate the enzyme (as well as other proteins) using ammonium sulfate ((NH4)2SO4). Ammonium sulfate (AS) at ~65-70% is an effective concentration for precipitating proteins. It is an old technique, but it does work. The AS competes w/ proteins (and other solutes) for the available water, causing proteins to precipitate. This can be recovered by centrifugation. Much of the unwanted material (hopefully the dark material in your extract) will remain in solution. If this works, you can recover the protein precipitate and dissolve it in an appropriate buffer, then assay it for activity.

I hope this information helps you.

Bill Colonna, Dept. Food Science & Human Nutrition, Iowa State University, Ames, Iowa, USA wcolonna@iastate.edu

Techniques like Electron Paramagnetic Resonance (EPR) and diffuse reflectance transient absorption spectroscopy can effectively detect reactive radical species in solid-state photocatalysis, though EPR requires special sample preparation for solids.

-Howe, R. F., & Gratzel, M. (1985). EPR observation of trapped electrons in colloidal titanium dioxide. The Journal of Physical Chemistry, 89(21), 4495-4499.

-Tamaki, Y., Furube, A., Murai, M., Hara, K., Katoh, R., & Tachiya, M. (2006). Direct observation of reactive trapped holes in TiO2 undergoing photocatalytic oxidation of adsorbed alcohols: evaluation of the reaction rates and yields. Journal of the American Chemical Society, 128(2), 416-417.

Thanks Professor Merve Özcan

I am working on vanadate materials, I think they are so complex, they take a lot of time in calculations

Tip 0 - start on a low salinity sample or just H2O.

Question 1 - UTE uses a block pulse or a very fast gaussian to generate RF, the rise time on the spectrometer is probably 10-50 microseconds depending on amplitude to generate a projection.

Question 2 - Common artifacts are pulse ring-through in the digitizer. That may be a problem here.

Question 3 - UTE is used for imaging short T2* species.

You can consider such advanced techniques as View Angle Tilting or Slice Encoding Metal Artifact Correction

The hydrothermal method - at a temperature of around 120-180°C and duration of 12-24 hours/ can vary slightly

Dear Teena,

for CP-MAS at natural abundance (no isotope labels) you will need several mg's (we use typcially 80mg of powder) of your "film" stuffed into a small NMR container (100 ul) - less is needed if you can have 13C or 15N labelled material.

Alternatively there are methods using stacks of films on thin glass-plates, but to my remembering they all need isotope labeled material (https://rmnmc.chimie.unistra.fr/)

I hope this is of help

Alfred

Hello Keshav Kumar Singh . I am facing the same error, is your problem solved. How did you identify the fragments?

A liquid crystal is not exactly a bridge between solid and liquid states.

Actually, there is an ambiguity defining the two states. If one defines a solid by crystalline long range order (static, structure), liquid crystals are on the solid side. Instead, if one makes the distinction by viscosity or a (relatively arbitrary) relaxation time (dynamics), liquid cystals are liquid. Conversely, glasses are liquid or solid, repectively.

The common distinction between solid and liquid states is the dynamic definition. Then, glasses are "solid" and liquid crystals are ... "liquid"!

In theory, instead, glasses are studied within the formalism of liquid theory because presence or absence of periodicity induces important differences.

Beyond a critical point, a fluid shares properties of liquids (e.g. high density) and gases (absence of free surface).

There are other common intermediate states, like gels, emulsions, plymer melts, ...

Every classification is partly arbitrary...

Dear Raheem:

I pay taxes in Canada.

No worries. I'll attempt to publish via Nuclear and Welding in the near future.

Sincerely

Paul Cheng

Enclose crystalline structure of what we are doing. Fine grained base to base. No HAZ.

The absolute quantum yield of a fluorophore material typically remains constant with changes in concentration within a solution, assuming other conditions like temperature and solvent remain consistent. However, in some cases, there might be concentration-dependent quenching or aggregation effects that could affect fluorescence properties.

The observed changes in absolute quantum yield with varying concentration and solvent suggest potential aggregation effects, which can influence fluorescence properties. Consider using different techniques or instruments to validate your results, such as steady-state and time-resolved fluorescence spectroscopy. Additionally, ensuring proper sample preparation and accounting for any artifacts in measurements can enhance result accuracy.

Anisotropic g tensor maybe? g(X) different g(y) different g(z), try orienting the crystal in different directions.

Kramers-Kronig helps in checking validity of data, if otherwise, Gamry (or whatever electrochemical machines) and electrodes need to be double checked.

If you want to measure the ionic conductivity of the polymer (Membrane), two electrode electrode set up like Ag/Polymer/Ag or Pt/Polymer/Pt can be utilized where the measurements carried out using the electrochemical workstation by the technique like PEIS.

Further their electrochemical properties examined through CV,CD studied using the coin cell set up to study their viability like battery measurement (Cathode/polymer/Anode).

Incase of the solid, the polymer composite can be used as the working electrode, where it can be prepared and coated on substrate and the Ag/AgCl or Hg/HgO as reference electrode & Platinum electrode or Gold as the counter electrode. The measurements like CV,CA,CD, Impedance can be carried depends upon the application.

Thank you Prof. Pansu . I shall have a look.

Prof. Kona Veera Ganesh

Anther book that presents dense solids, liquids and gases with the a similar approach, i.e. using an interatomic potential is:

It has an appendix D called: "Multicomponent, Reactive Flow Conservation

Equations" pp. 236

KInd Regards.

Dear Thamer Jaddoa Shihab Ahmed

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

Forgot to attach the code....

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?

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.

Please refer to my article:

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!

Thank you for your reply... Jiurong Li

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.

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.

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:

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.

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.

We have obtained the similar curve for DSC of rigid PU foams

You have melting peaks of PU components

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.

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.

Hello

you can see these articles:

Introduction to Coordination Chemistry (Inorganic Chemistry: A Textbook Series) by Geoffrey A. Lawrance | Mar 15, 2013

Coordination Chemistry by Joan Ribas Gispert (Author)

Concise Coordination Chemistry Paperback – 1 January 2008 by R. Gopalan (Author), V. Ramalingam (Author)

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.

(https://www.researchgate.net/post/if_discharge_capacity_is_higher_than_charge_capacity_in_lithium_ion_half_cell_from_anode)

@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

Thankyou for your answer.

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.

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

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?

Sergei V. Kuzin Thank you, I think I need more deep analysis towards this.

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.

Katı halde veya sıvı halde olabilir. Onu kendi çalışmana göre yapacaksın. Uv kullanılırsa Katı ve sıvıda farklı olur.

Sajjad Mohammadi

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.

Thank you Philip Hasnip. Your answer is helpful. I will get back up to you if get any issues while computing.

Dear Hamza Elaamri ,

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

Yes, Prof. , 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.

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.

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

Also check please the following useful RG links:

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

Need a postdoc position in computational solid state physics especially Organic inorganic perovskite.

Dear Scarleth Vasconcelos ,

can you show, please, some EIS plot(s) about your WE (NMC cathode) ?

You can care about the highest peak

@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!

See attached article

Paulo Barbeitas Miranda Thank you very much

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

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?

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.

Have a look for clue at https://ieeexplore.ieee.org/abstract/document/6871865

https://www.mdpi.com/2076-3417/9/17/3545/htm and

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

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.

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.

Prof. Joseph Gerges

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.

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:

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:

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

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 (I_S) 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 l_sf) to be measured. More details about SQHE will be presented in Chapter 9 of my Book, about spin transport in nanostructures.

Hirra Anwar,

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!

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.

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.

Dear Tumpa,

We do so, as we consider the vacuum level as a reference energy level.

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 ...