国家/地区 China（10）
关键词 DFT（10）
出版物 APPLIED SURFACE SCI.（3） CHEMISTRYSELECT（2）
出版时间 2017（10）
机构 SICHUAN UNIV（2）
作者

Adsorption of phosgene molecule on the transition metal-doped graphene: First principles calculations

APPLIED SURFACE SCIENCE

ZHANG T, SUN H, WANG FD, ZHANG WD, TANG SW, MA JM, GONG HW, ZHANG JP

Theoretical investigation for the reaction of N2O with CO catalyzed by Pt-Graphene

STRUCTURAL CHEMISTRY

TONG YC, WANG YC, WANG QY

Geometric stability of PtFe/PdFe embedded in graphene and catalytic activity for CO oxidation

APPLIED ORGANOMETALLIC CHEMISTRY

WANG R, FENG W, ZHANG DD, LIU HL, ZHAO HY, HUANG XR

Generated photocatalytic performance of h-BN sheet by coupling with reduced graphene oxide/fluorid: A DFT study

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

LU BC, JIA J, GUO FJ, LI DY, ZHAO YH, ZHAO X, GAO HT

Insights into the Adsorption of Resveratrol on Graphene Oxide: A First-Principles Study

CHEMISTRYSELECT

ZHAO ML, LAI Q, GUO JL, GUO Y

Synergistic effect of nitrogen and sulfur co-doped graphene as efficient metal-free counter electrode for dye-sensitized solar cells: A first principle study

COMPUTATIONAL MATERIALS SCIENCE

LIU Y, WANG YX, ZHENG XN, WANG Y

The Neglected Significant Role for Graphene-Based Acetylene Hydrochlorination Catalysts - Intrinsic Graphene Defects

CHEMISTRYSELECT

ZHAO F, KANG LH

Enhanced CO2 capture on graphene via N, S dual-doping

APPLIED SURFACE SCIENCE

LI JY, HOU ML, CHEN YQ, CEN WL, CHU YH, YIN S

Theoretical insights into the energetics and electronic properties of MPt12 (M = Fe, Co, Ni, Cu, and Pd) nanoparticles supported by N-doped defective graphene

APPLIED SURFACE SCIENCE

WANG Q, TIAN Y, CHEN GJ, ZHAO JX

Al-doped graphene as an effective adsorber for some toxic derivatives of aromatic hydrocarbons

JOURNAL OF THEORETICAL COMPUTATIONAL CHEMISTRY

JI M, CHENG XL, WU WD