国家/地区 China（9）
关键词 DENSITY FUNCTIONAL CALCULATION（9）
出版物 CHEMPHYSCHEM（9）
出版时间 2013（2） 2018（2）
机构
作者

Mechanism of Charge Separation and Frontier Orbital Structure in Graphitic Carbon Nitride and Graphene Quantum Dots

CHEMPHYSCHEM

ULLAH N, CHEN SW, ZHANG RQ

Density Functional Theory Calculations of the Quantum Capacitance of Graphene Oxide as a Supercapacitor Electrode

CHEMPHYSCHEM

SONG C, WANG JY, MENG ZL, HU FY, JIAN XG

A Time-Dependent DFT Study of the Absorption and Fluorescence Properties of Graphene Quantum Dots

CHEMPHYSCHEM

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

Structural and Magnetic Properties of 3d Transition-Metal-Atom Adsorption on Perfect and Defective Graphene: A Density Functional Theory Study

CHEMPHYSCHEM

ZHANG TT, ZHU LY, YUAN SJ, WANG JL

Enhanced Oxygen Reduction Reactions in Fuel Cells on H-Decorated and B-Substituted Graphene

CHEMPHYSCHEM

KONG XK, CHEN QW, SUN ZY

Oxygen-Molecule Adsorption and Dissociation on BCN Graphene: A First-Principles Study

CHEMPHYSCHEM

TANG SB, WU WH, LIU LX, GU JJ

Insights from the Adsorption of Halide Ions on Graphene Materials

CHEMPHYSCHEM

ZHU C, YANG G

Boron Coordination Effect in Ni-N-x Doped Graphene Catalysts on the ORR Performance Based on DFT Calculations

CHEMPHYSCHEM

ZHANG JY, CAO D, LIU H, WANG FQ, LIANG LM, LIU CC, HAO QY, LI Y

Computational Screening of 3 d Transition Metal Atoms Anchored on Defective Graphene for Efficient Electrocatalytic N-2 Fixation

CHEMPHYSCHEM

SONG W, XIE K, GUO YL, FU L, HE CZ