Structural and electronic properties of pristine and doped polythiophene: Periodic versus molecular calculations

Journal of Physical Chemistry C

Volumn 119, Issue 8, 2015, Pages 3979-3989

  Kaloni, Thaneshwor P ^a   Schreckenbach, Georg ^a   Freund, Michael S ^a  

^a UNIVERSITY OF MANITOBA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; CHARGE TRANSFER; ELECTRONIC PROPERTIES; ENERGY GAP; MONOLAYERS; OLIGOMERS;

BI-LAYER STRUCTURE; DOPED POLYTHIOPHENE; ELECTRONIC DEVICE; HOMO-LUMO GAPS; LI ADSORPTIONS; MOLECULAR CALCULATIONS; PERIODIC CALCULATIONS; STRUCTURAL AND ELECTRONIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 84923994788     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp511396n     Document Type: Article

References (91)

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