Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces'

Surface Science

Volumn 606, Issue 3-4, 2012, Pages 289-292

  Shi, X Q ^a   Xu, H ^a   Van Hove, M A ^a   Moreira, N H ^b   Rosa, A L ^b   Frauenheim, Th ^b  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b UNIVERSITY OF BREMEN   (Germany)

Author keywords

Density functional theory (DFT); Phosphonic acid; Zinc oxide (ZnO)

Indexed keywords

DENSITY FUNCTIONALS; FIRST-PRINCIPLES; LOCAL CHARGE; MEDIATED INTERACTION; METAL OXIDE SURFACES; METHYLPHOSPHONIC ACID; MOLECULAR DIMERS; NON-POLAR SURFACES; PHOSPHONIC ACIDS; TOTAL ENERGY CALCULATION; ZNO; ZNO SURFACE;

ADSORBATES; ADSORPTION; BINDING ENERGY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIMERS; METALLIC COMPOUNDS; ORGANIC ACIDS; WAVE FUNCTIONS; ZINC;

ZINC OXIDE;

EID: 84855440175     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.10.006     Document Type: Article

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