Surface sites and unrelaxed surface energies of tetrahedral silica polymorphs and silicate

Surface Science

Volumn 595, Issue 1-3, 2005, Pages 6-19

  Murashov, Vladimir V ^a   Demchuk, Eugene ^a,b  

^a NATIONAL INSTITUTE FOR OCCUPATIONAL SAFETY AND HEALTH   (United States)

^b WEST VIRGINIA UNIVERSITY   (United States)

Author keywords

Cleavage; Density functional calculations; Faceting; Silicates; Surface distribution; Surface energy; Surface sites; Thermodynamics

Indexed keywords

COMPUTER SIMULATION; INTERFACIAL ENERGY; SAFETY FACTOR; SILICATES; SURFACE PROPERTIES; THERMODYNAMICS;

CLEAVAGE; DENSITY FUNCTIONAL CALCULATIONS; FACETIGN; SURFACE DISTRIBUTIONS; SURFACE SITES;

SILICA;

EID: 27644558278     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.07.030     Document Type: Article

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