国家/地区 China（5）
关键词 DFT CALCULATION（5）
出版物 APPLIED SURFACE SCIENCE（5）
出版时间
机构
作者

Enhanced adsorption of graphene oxide on iron surface induced by functional groups

APPLIED SURFACE SCIENCE

GUI W, DUAN FL, MU XJ

Acetone adsorption to (BeO)(12), (MgO)(12) and (ZnO)(12) nanoparticles and their graphene composites: A density functional theory (DFT) study

APPLIED SURFACE SCIENCE

MO YM, LI HY, ZHOU K, MA XC, GUO Y, WANG SB, LI LQ

Graphene layer effect on protecting the refined surface of transition metal substrate Re(0001): A first-principles study

APPLIED SURFACE SCIENCE

GAO L, MA Y, YAN Y, CHEN XC, SU YJ, QIAO LJ

Understanding the interfacial properties of graphene-based materials/BiOI heterostructures by DFT calculations

APPLIED SURFACE SCIENCE

DAI WW, ZHAO ZY

Length An ab initio investigation on the mechanism of formaldehyde oxidation: A case of heterogeneous catalytic reaction over graphene-like MnO2 monolayer anchored different single atoms (Fe, Co, and Ni)

APPLIED SURFACE SCIENCE

MANG C, LI GH, RAO MJ, ZHANG X, LUO J, JIANG T