A DFT investigation into the effects of As-doping on the electronic structure and electrochemical activity of pyrite (FeS2)

Autor: Nourmohamadi, Hossein, Esrafili, Mehdi D., Aghazadeh, Valeh
Zdroj: In Journal of Molecular Graphics and Modelling January 2022 110
Databáze: ScienceDirect