国家/地区 China（5） Chile（2）
关键词 DFT CALCULATION（10）
出版物 APPLIED SURFACE SCIENCE（10）
出版时间 2019（3） 2017（2） 2018（2） 2023（2）
机构 UNIV TECNOL .（2）
作者 CORTESARRIAG.（2） VILLEGASESCO.（2）

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

APPLIED SURFACE SCIENCE

GUI W, DUAN FL, MU XJ

Conformation dependence of tyrosine binding on the surface of graphene: Bent prefers over parallel orientation

APPLIED SURFACE SCIENCE

DAGGAG D, LAZARE J, DINADAYALANE T

Formation of graphene-capped cobalt silicides

APPLIED SURFACE SCIENCE

GREBENYUK GS, DUNAEVSKY SM, LOBANOVA EY, SMIRNOV DA, PRONIN II

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

Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O-2 environments

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N, ORTEGA DE

A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N

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

APPLIED SURFACE SCIENCE

DAI WW, ZHAO ZY

Mechanistic understanding on effect of doping nitrogen with graphene supported single-atom Fe toward electrochemical CO2 reduction: A computational consideration

APPLIED SURFACE SCIENCE

LIU SW, CHEN HT

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