国家/地区 India（9）
关键词 DFT（9）
出版物 APPLIED SURFACE SCI.（2）
出版时间 2017（9）
机构 SRM UNIV（2）
作者 THAPA R（2）

Adsorption of small gas molecules on pure and Al-doped graphene sheet: a quantum mechanical study

BULLETIN OF MATERIALS SCIENCE

SINGH D, KUMAR A, KUMAR D

Adsorption and decomposition of dimethyl methylphosphonate on pristine and mono-vacancy defected graphene: A first principles study

APPLIED SURFACE SCIENCE

MAJUMDER C

Chemical functionalization and edge doping of zigzag graphene nanoribbon with L-(+)-leucine and group IS elements-A DFT study

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Structure stability and magnetism in graphene impurity complexes with embedded V and Nb atoms

JOURNAL OF MAGNETISM MAGNETIC MATERIALS

THAKUR J, KASHYAP MK, TAYA A, RANI P, SAINI HS, RESHAK AH

Hydrogen storage in Beryllium decorated graphene with double vacancy and porphyrin defect - A first principles study

FUNCTIONAL MATERIALS LETTERS

MAHENDRAN M, REKHA B, SEENITHURAI S, PANDYAN RK, KUMAR SV

Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide

CHEMICAL PHYSICS LETTERS

ROY R, THAPA R, CHAKRABARTY S, JHA A, MIDYA PR, KUMAR EM, CHATTOPADHYAY KK

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

MOLECULAR CATALYSIS

NANDHINI S, RAJKAMAL A, SAHA B, THAPA R

Controlled Doping in Graphene Monolayers by Trapping Organic Molecules at the Graphene-Substrate Interface

ACS APPLIED MATERIALS INTERFACES

SRIVASTAVA PK, YADAV P, RANI V, GHOSH S

Experimental and first principle studies on hydrogen desorption behavior of graphene nanofibre catalyzed MgH2

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

SINGH MK, BHATNAGAR A, PANDEY SK, MISHRA PC, SRIVASTAVA ON