hello every body
i want determine the optical absorbance spectrum of organic-inorganic perovskite with the help of quantum esspreso code. is it possible? if yes how can I do it?
thank a lot
hello i want to simulate a solar cell with a new optical absorption spectra intensity that i calculated by DFT. i want to know that can i use the normalized spectra in scaps or other simulation...
09 October 2018 8,811 1 View
hello every one I want to calculate band gap of some materials but i want to know can i calculate it by just a scf run or i must calculate it by band run after svf in quantum espresso?
05 June 2018 7,615 13 View
hello every one I am working on DFT simulation whit Quantum espresso package. I know that for calculate band structure, we should first run a SCF calculation and then Change a bit scf input to...
04 May 2018 8,115 4 View
Im looking for below properties for some materials which are used in solar cells: bandgap (eV) electron affinity (eV) dielectric...
03 April 2018 8,641 1 View
hello everyone I want to simulate some materials like methylammonium and some thing else in quantum espresso but i dont know that how can I find input data like ibrav , nat, atomic...
01 February 2018 6,243 3 View
I red some paper about quantum espresso code and saw that they worked on structurical , electrinic and optical properties of some materials like MAPbI3 and FAPbI3 and . . . but I dont know whats...
31 December 2017 4,628 0 View
I am working on perovskite solar cells UV stability and Im looking for a software which can simulate PSCs to determine its stability. I know some software to determine solar cells...
09 October 2017 403 11 View
I am looking to effect of different materials on the perovskite solar cells stability under UV_light and I want to simulate UV degration effect upon perovskite solar cells but I dont know how can...
09 October 2017 1,030 3 View
hello every one i am looking for electron affinity of FAPbI3 perovskite because i want to simulate a FAPbI3 solar cell. but i cant find the important value of electron affinity in any reference...
01 January 1970 3,865 7 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...
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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...
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I am working in fungal fermentation of soybean meal and there is bacterial growth in them at times. I am trying to quantify fungal cell counts and bacterial cells; but I haven't been able to do at...
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The stability of the Solar System is a complex subject that blends the classical framework of Newtonian mechanics with the modern insights provided by General Relativity (GR). Understanding this...
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I am experimenting with cancer and non-cancer cells in a 12-well plate for 4 days with a seeding density 1*10^4/well, however, I noticed that the control group growth rate slows down on D3. Should...
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Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
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I am not able to get good literature and the physics behind how first these grains and grain boundaries arises out of no where when we make a pellet to study its dielectric properties and then how...
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Previously when I co-coluture anti-CD19(FMC63) CAR-Jurkat with Raji with E:T=5:1, Jurkat can eliminate Raji in 24h. However, when I test another CAR construct, although I can dectect totally CD69...
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What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...
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