Important role of molecular permanent dipoles of the Alq3/Al interface studied from first-principles

Chemical Physics Letters

Volumn 420, Issue 4-6, 2006, Pages 523-528

  Yanagisawa, Susumu ^a,b   Morikawa, Yoshitada ^a,b,c  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

ATOMIC GEOMETRIES; INTERFACE DIPOLE FORMATION; INTERFACIAL GAP STATE; MOLECULAR DIPOLES;

ALUMINUM COMPOUNDS;

EID: 33644701010     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.12.096     Document Type: Article

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