DFT study of the water/MgO(1 0 0) interface in acidic and basic media

Surface Science

Volumn 600, Issue 2, 2006, Pages 357-365

  Tielens, Frederik ^a   Minot, Christian ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Adsorption; DFT; HCl; MgO; NaOH; Water dissociation

Indexed keywords

HYDROCHLORIC ACID; INTERFACES (MATERIALS); MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

DFT; HCL; MGO; NAOH; WATER DISSOCIATION;

WATER;

EID: 31344481744     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.10.033     Document Type: Article

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