First-principles calculation of core-level binding energy shift in surface chemical processes

Science China Chemistry

Volumn 53, Issue 2, 2010, Pages 402-410

  Zeng, Zhen Hua ^a,b   Ma, Xiu Fang ^a,b   Ding, Wu Chen ^a,b   Li, Wei Xue ^a,b  

^a Center for Theoretical and Computational Chemistry   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Core level binding energy shift; First principles; Surface chemical processes

Indexed keywords

ADSORPTION SITE; BINDING ENERGY SHIFTS; COMPLEX SURFACE; CORE LEVELS; CROSS SECTION; ENERGY RESOLUTIONS; ENHANCED SURFACE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; LOW INDEX; MOLECULAR ADSORPTION; REAL TIME; SOLID-GAS INTERFACE; SURFACE CHEMICALS; SYNCHROTRON RADIATION LIGHT SOURCE; THIRD GENERATION; TRANSITION METAL SURFACES; XPS MEASUREMENTS;

ADSORPTION; CHEMICAL ENGINEERING; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; EMISSION SPECTROSCOPY; GRAFTING (CHEMICAL); LIGHT SOURCES; NUCLEAR ENERGY; PHASE INTERFACES; PHOTOELECTRICITY; POTENTIAL ENERGY; REACTION KINETICS; SURFACE REACTIONS; SYNTHESIS (CHEMICAL); TRANSITION METALS; X RAY PHOTOELECTRON SPECTROSCOPY;

BINDING ENERGY;

EID: 77950952342     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-010-0086-z     Document Type: Article

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