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 766 3 View
07 August 2017 3,893 6 View
04 May 2015 8,734 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 2,137 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 8,690 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 6,024 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 4,389 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 3,820 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 1,545 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 4,289 5 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...
03 March 2021 1,682 3 View
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View