国家/地区 Pakistan（3）
关键词 DFT（3）
出版物 JOURNAL OF MOLECULA.（2）
出版时间 2021（3）
机构
作者

Penta graphene: a superior anode material for Mg-ion batteries with high specific theoretical capacity

IONICS

KHAN AA, MUHAMMAD I, AHMAD R, AHMAD I

A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap

JOURNAL OF MOLECULAR GRAPHICS MODELLING

HUSSAIN A, BASIT A

Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

KOSAR N, AYUB K, MAHMOOD T