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Questions related from Jamshid Laali
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...
10 October 2018 8,789 1 View
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
07 July 2018 409 0 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?
06 June 2018 7,589 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...
05 May 2018 8,087 4 View
Im looking for below properties for some materials which are used in solar cells: bandgap (eV) electron affinity (eV) dielectric...
04 April 2018 8,619 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...
02 February 2018 6,220 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...
01 January 2018 4,604 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...
10 October 2017 384 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...
10 October 2017 1,014 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 3,836 7 View