国家/地区 China（5） India（2）
关键词 DENSITY FUNCTIONAL THEORY（10）
出版物 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY（10）
出版时间 2022（3） 2018（2） 2021（2）
机构
作者 RANI B（2）

First-principles investigations on the synergistic effect of N-dopant and lattice-strain for CO2 reduction to CO on graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LU RH, XIA LX, WANG H, ZHAO Y

Exploring the catalytic efficiency of X-doped (X=B, N, P) graphene in oxygen reduction reaction: Influence of solvent and border effects

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

AGUILARGALINDO F, OCON P, POYATO JML

Possible causes for rippling in a multivacancy graphene system

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

MOMBRU D, FACCIO R, MOMBRU AW

A First Principle Study of Adsorption of Two Proximate Nitrogen Atoms on Graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

RANI B, DHARAMVIR K

Computational electrochemistry of doped graphene as electrocatalytic material in fuel cells

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

FAZIO G, FERRIGHI L, PERILLI D, DI VALENTIN C

Effects of microstructural tailoring on Na storage performance of graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

YAO LH, ZHAO JG, LI JW

Atomistic insights into lithium adsorption and migration on phosphorus-doped graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

RANI B, BUBANJA V, JINDAL VK

Theoretical study of decomposition of formic acid over Pd catalyst anchored on N-doped graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

SHI CK, DONG WJ, LI F, XUE W, WANG YJ

Gas sensing properties of Mg-doped graphene for H2S, SO2, SOF2, and SO2F2 based on DFT

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

PENG X, LIU DS, ZHAO F, TANG C

Theoretical investigations on the properties of graphene supported metal (Al, Zn, Fe) catalysts and the reaction mechanism of catalyzing water to hydrogen peroxide

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

WAN XJ, WU Y, MAO D, QIN QQ, LIU XY, LI LC