Stability of siloxane couplers on pure and fluorine doped SnO2 (110) surface: A first principles study

Surface Science

Volumn 604, Issue 19-20, 2010, Pages 1784-1790

  Golovanov, V ^a,b   Viitala, M ^a   Kortelainen, T ^a   Cramariuc, O ^a   Rantala, T T ^a  

^a TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^b SOUTH UKRAINIAN NATIONAL PEDAGOGICAL UNIVERSITY   (Ukraine)

Author keywords

Density functional calculations; Grafting; Siloxane coupler; Stannic oxide

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DESIGN FOR TESTABILITY; ELECTRONIC PROPERTIES; FLUORINE; GRAFTING (CHEMICAL); OXIDES; QUANTUM CHEMISTRY;

ADSORPTION GEOMETRIES; CHEMISORBED OXYGEN; COMPARATIVE STUDIES; FIRST-PRINCIPLES STUDY; ORGANIC MOLECULES; SILOXANE COUPLER; SILOXANE NETWORKS; STANNIC OXIDE;

DENSITY FUNCTIONAL THEORY;

EID: 77958077381     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.07.006     Document Type: Article

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