Rajib K. Sutradhar

3 Questions 2 Answers 0 Followers

Questions related from Rajib K. Sutradhar

Can anyone calculate the band gap of cluster like B6N6 using computational tools such as QE or SIESTA?

Anyone can calculate band gap in 2D or bulk material but I have observed some paper where in cluster they did not use band gap. Is it possible to calculate band gap in cluster using software?

24 December 2024 7,528 2 View

Which properties of nanocatalysts form strong chemical bonds that create oxidation?

Example, Pt and other nanocatalysts with CeO2 or other materials oxidize.

19 April 2023 5,661 2 View

Which python library is used for computing dft( density functional theory ) as siesta python interface?

Picture if possible

15 April 2023 7,488 2 View