Role of dispersive interactions in determining structural properties of organic-inorganic halide perovskites: Insights from first-principles calculations

Journal of Physical Chemistry Letters

Volumn 5, Issue 15, 2014, Pages 2728-2733

  Egger, David A ^a   Kronik, Leeor ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

density functional theory; dispersive interactions; lead halide perovskites; photovoltaics; spin orbit coupling; van der Waals interactions

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; STRUCTURAL PROPERTIES; VAN DER WAALS FORCES;

DISPERSIVE INTERACTIONS; FIRST-PRINCIPLES CALCULATION; HALIDE PEROVSKITES; PHOTOVOLTAIC PROPERTY; PHOTOVOLTAICS; SPIN-ORBIT COUPLINGS; STRUCTURAL PARAMETER; VAN DER WAALS INTERACTIONS;

PEROVSKITE;

EID: 84905728435     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz5012934     Document Type: Article

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