Silicon-doped boron nitride graphyne-like sheet for catalytic N<sub>2</sub>O reduction: A DFT study.

Silicon-doped boron nitride graphyne-like sheet for catalytic N₂O reduction: A DFT study.

Ali Khan, Adnan; Esrafili, Mehdi D; Ali, Faisal; Ahmad, Rashid; Ahmad, Iftikhar.

Afiliação

Ali Khan A; Centre for Computational Materials Science, University of Malakand, Chakdara, Pakistan; Department of Chemistry, University of Malakand, Chakdara, Pakistan.
Esrafili MD; Department of Chemistry, Faculty of Basic Sciences, University of Maragheh, Maragheh, Iran. Electronic address: esrafili@maragheh.ac.ir.
Ali F; Centre for Computational Materials Science, University of Malakand, Chakdara, Pakistan; Department of Chemistry, University of Malakand, Chakdara, Pakistan.
Ahmad R; Centre for Computational Materials Science, University of Malakand, Chakdara, Pakistan; Department of Chemistry, University of Malakand, Chakdara, Pakistan. Electronic address: rashmad@gmail.com.
Ahmad I; Centre for Computational Materials Science, University of Malakand, Chakdara, Pakistan; Department of Physics, Gomal University, Dera Ismail Khan, Pakistan.

J Mol Graph Model ; 114: 108186, 2022 Jul.

Article em En | MEDLINE | ID: mdl-35429921