Effect of packing on formation of deep carrier traps in amorphous conjugated polymers

Journal of Physical Chemistry Letters

Volumn 4, Issue 9, 2013, Pages 1453-1459

  Kilina, Svetlana ^a   Dandu, Naveen ^a   Batista, Enrique R ^b   Saxena, Avadh ^b   Martin, Richard L ^b   Smith, Darryl L ^b   Tretiak, Sergei ^b,c  

^a NORTH DAKOTA STATE UNIVERSITY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

conformational disorder; first principles density functional theory; intermolecular interactions; localization; molecular dynamics; participation ratio analysis

Indexed keywords

CONFORMATIONAL DISORDERS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERMOLECULAR INTERACTIONS; LOCALIZATION; PARTICIPATION RATIOS;

AGGREGATES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; OLIGOMERS;

MOLECULAR DYNAMICS;

EID: 84877113249     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4003197     Document Type: Article

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