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Volumn 511, Issue 1-3, 2002, Pages 408-420

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(1 1 0) surfaces and the interaction with O2

(7) Sensato, Fabrício R a Custódio, Rogério a Calatayud, Mònica b Beltrán, Armando b Andrés, Juan b Sambrano, Julio R c Longo, Elson d

a UNIVERSITY OF CAMPINAS (Brazil)

b UNIVERSITAT JAUME I (Spain)

c SÃO PAULO STATE UNIVERSITY UNESP (Brazil)

d FEDERAL UNIVERSITY OF SÃO CARLOS (Brazil)

Author keywords

Ab initio quantum chemical method and calculations; Chemisorption; Density functional calculations; Models of surface chemical reactions; Oxygen; Semiconducting surfaces; Surface electronic phenomena (work function, surface potential, surface states, etc.); Tin oxides

Indexed keywords

CHEMICAL RELAXATION; CHEMISORPTION; ELECTRIC CONDUCTIVITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ENERGY GAP; GAS ADSORPTION; LATTICE CONSTANTS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING TIN COMPOUNDS;

BAND GAP; CHARGE DISTRIBUTION;

SURFACE STRUCTURE;

EID: 0036608894 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(02)01542-X Document Type: Article

Times cited : (105)

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