I am not finding the data about the Ionization Potential, electron affinity and cohesive energy of francium.
Ionization potential of Fr is 3.98 eV and electron affinity is -44 kJ/mol
I am doing DFT calculations for electrolytes of batteries. Is there any software with which I can place my electrolytes inside a battery and can know how those electrolytes will be actually...
11 December 2018 865 3 View
I need some help about GPVDM software. It would be very kind you if anybody is there who has worked with GPVDM and can help me about it. Thank you in advance
07 August 2017 4,036 6 View
Most probably the best thing of a perovskite solar cell is their easiness to fabricate and low cost. But I am more interested about the drawbacks of perovskite solar cells. Your kind comments on...
04 May 2015 8,839 4 View
Metals nanoparticles (NP) are used on top of solar cell to enhance the light absorption in thin film solar cell. Now, lets say NP-A has its absorption range in between 6-18 eV frequency with peak...
02 March 2015 2,244 3 View
Using DFT calculation of inorganic X-Y nanoalloys I have got a very wide optical absorption in the frequency range of 950 THz to 4300 THz. i.e., 315nm to 70 nm. So I was just thinking whether this...
02 March 2015 8,804 2 View
I have seen a lot that people use core-shell structures for nanoparticles in plasmonic application. Any special significance of core-shell structures? Any paper on that? Thanking you in advance
02 March 2015 6,127 4 View
for example, Ag has its experimental optical peak at 3.2 eV. Now, at what eV/Hz do the Al and Cu have their optical peak? I am looking for any theoretical or, experimental calculation on that....
01 February 2015 4,510 4 View
We have seen silver and gold nanoparticles have been used on top of plasmonic solar cell to increase the light absorption. Now, the magnetic properties of silver and gold have any effect on solar...
31 December 2014 3,918 5 View
I am only aware of doping into an intrinsic semiconductor. Most probably doping into a metal conductor (lets say silver/aluminium/copper): does it actually make any sense? Just want to know. Any...
31 December 2014 1,677 6 View
Bangladesh is listed at 36th best country when it comes about PPP GDP but 155th when nominal GDP is considered. So, if I want to know the real economy state of a country, which one should I look...
31 December 2014 4,394 5 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...
07 August 2024 1,937 1 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View