Ghada Aljaber

4 Questions 6 Answers 0 Followers

Questions related from Ghada Aljaber

How to study Li adsorption on graphene using Quantum Espresso?

Hi everyone, I am trying to study Li adsorption on graphene and Electronic properties (PDOS and band structure) using Quantum Espresso. Anyone can help me how to do it? Starting from how to build...

05 February 2024 9,088 5 View

How to do calculations of Wt% for doping?

Hi everyone, If I want to doping Co in NiFe2O4 with 3 wt%, For example, Fe(NO3)3.9H2O (1 g), Ni(NO3)2.6H2O (1 g) and Co(NO3)2·6H2O (3wt%). So, 2 g x 3/100 = 0.06 g of Co(NO3)2·6H2O. The result...

18 November 2023 7,382 1 View

Why nscf calculations stop at "Band Structure Calculation"?

Hi everyone, I am trying to calculate DOS using Quantum Espresso. During the nscf calculation phase, the calculation stops at the word (Band Structure Calculation) and after a few hours it shows...

14 October 2023 3,248 6 View

How do I get a tafel slope for HER and OER?

I'm trying to calculate the Tafel slope of HER and OER, I got these values and I'm not sure if is it true, any one can help me?

09 August 2023 2,585 2 View