国家/地区 India（5）
关键词 ADSORPTION（2） DFT（2）
出版物 JOURNAL OF MATERIAL.（2）
出版时间 2016（2）
机构 SRM UNIV（5）
作者 THAPA R（5）

Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis

SMALL

SINTHIKA S, WAGHMARE UV, THAPA R

First-principles identification of site dependent activity of graphene based electrocatalyst

MOLECULAR CATALYSIS

NANDHINI S, RAJKAMAL A, SAHA B, THAPA R

Effect of multiple defects and substituted impurities on the band structure of graphene: a DFT study

JOURNAL OF MATERIALS SCIENCEMATERIALS IN ELECTRONICS

IYAKUTTI K, KUMAR EM, THAPA R, RAJESWARAPALANICHAMY R, SURYA VJ, KAWAZOE Y

Effect of surface doping on the band structure of graphene: a DFT study

JOURNAL OF MATERIALS SCIENCEMATERIALS IN ELECTRONICS

IYAKUTTI K, KUMAR EM, LAKSHMI I, THAPA R, RAJESWARAPALANICHAMY R, SURYA VJ, KAWAZOE Y

Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene

RSC ADVANCES

SINTHIKA S, THAPA R