国家/地区 India（9）
关键词 DENSITY FUNCTIONAL CALCULATION（9）
出版物 CHEMPHYSCHEM（5）
出版时间 2019（3） 2015（2）
机构 JAWAHARLAL N.（3）
作者 MANNA AK（2） PATI SK（2）

Single-Atom Catalysis Using Chromium Embedded in Divacant Graphene for Conversion of Dinitrogen to Ammonia

CHEMPHYSCHEM

RIYAZ M, GOEL N

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride

CHEMPHYSCHEM

YADAV VK, MIR SH, SINGH JK

Interaction of gold clusters with graphene and graphene layer over Ni (111) surface: A density functional study

APPLIED SURFACE SCIENCE

RAJESH C, MAJUMDER C

Computational Studies on Non-covalent Interactions of Carbon and Boron Fullerenes with Graphene

CHEMPHYSCHEM

MANNA AK, PATI SK

Remarkable Uptake of CO2 and CH4 by Graphene-Like Borocarbonitrides, BxCyNz

CHEMSUSCHEM

KUMAR N, SUBRAHMANYAM KS, CHATURBEDY P, RAIDONGIA K, GOVINDARAJ A, HEMBRAM KPSS, MISHRA AK, WAGHMARE UV, RAO CNR

Tuning the Electronic Structure of Graphene by Molecular Charge Transfer: A Computational Study

CHEMISTRYAN ASIAN JOURNAL

MANNA AK, PATI SK

Sensing Characteristics of a Graphene-like Boron Carbide Monolayer towards Selected Toxic Gases

CHEMPHYSCHEM

MAHABAL MS, DESHPANDE MD, HUSSAIN T, AHUJA R

Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations

CHEMPHYSCHEM

CHOPRA S

Density functional theory study of the enhancement of quantum capacitance of graphene by phosphorous doping

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

RANI B, BUBANJA V, JINDAL VK