国家/地区 China（12）
关键词 DENSITY FUNCTIONAL .（5） GRAPHENE（3） ADSORPTION PROPERTI.（2）
REACTION MECHANISM（2）
出版物 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY（12）
出版时间 2022（4） 2021（2）
机构
作者 CHEN HX（2） DING JJ（2）

The density functional theory study of 2D nonmetallic catalyst defective graphene for acetylene hydration

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LI JQ, KANG LH

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

Study on the normalized Laplacian of a penta-graphene with applications

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LI QS, ZAMAN S, SUN WT, ALAM J

Density Functional Study of Hydrogen Adsorption and Diffusion on Ni-Loaded Graphene and Graphene Oxide

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LI QZ, WANG HY, XIA HP, WEI SH, YANG JH

The Lithium-Orientation Effect on the Hyperpolarizability in the Short Zigzag-Edged Monolithiated Aza-Mobius Graphene Ribbon [2,7] Isomers

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

WANG YF, WANG Y, LI ZR, LI Z, XU HL, SUN CC

Proton absorption and penetration behaviors in Pt-supported graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

XIANG X, BA JW, LIU L

Effects of microstructural tailoring on Na storage performance of graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

YAO LH, ZHAO JG, LI JW

Electronic and adsorption properties of the zigzag-edged triangle graphene nanosheets

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

DING JJ, JIN YX, CHEN HX

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