Reactive molecular dynamics study of chloride ion interaction with copper oxide surfaces in aqueous media

ACS Applied Materials and Interfaces

Volumn 4, Issue 3, 2012, Pages 1225-1232

  Jeon, Byoungseon ^a   Sankaranarayanan, Subramanian K R S ^b   Van Duin, Adri C T ^c   Ramanathan, Shriram ^a  

^a HARVARD UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c The Pennsylvania State University   (United States)

Author keywords

aqueous corrosion; chloride; copper oxide; pitting; reactive molecular dynamics; ReaxFF

Indexed keywords

AQUEOUS CONDITION; AQUEOUS CORROSION; AQUEOUS MEDIA; ATOMISTIC SCALE; CHEMICAL THINNING; CHLORIDE; CHLORIDE IONS; COPPER OXIDE THIN FILMS; DISSOLVED COPPER; EXTENDED DEFECT; FAR-FIELD; HIGH CONCENTRATION; INITIAL ADSORPTION; INITIAL STAGES; LOCAL CORROSION; LOW DENSITY; METAL SUBSTRATE; MOLECULAR DYNAMICS SIMULATIONS; OXIDE SURFACE; PASSIVE FILMS; PASSIVE OXIDE FILMS; REAXFF; STRUCTURAL EVOLUTION; SURFACE CONDITIONS; SURFACE CORROSION RESISTANCE;

ADSORPTION; COPPER OXIDES; CORROSION RESISTANCE; METAL IONS; MOLECULAR DYNAMICS; OXIDE FILMS; PITTING;

CHLORINE COMPOUNDS;

EID: 84859141626     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am201345v     Document Type: Article

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