Mechanical origin of the structural phase transition in methylammonium lead iodide CH3NH3PbI3

Journal of Physical Chemistry Letters

Volumn 6, Issue 4, 2015, Pages 681-685

  Ong, Khuong P ^a   Goh, Teck Wee ^b   Xu, Qiang ^a,c   Huan, Alfred ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

Author keywords

Density Functional Theory; Hybrid Perovskites; Phase Transitions; Solar cell

Indexed keywords

AMMONIA; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; LATTICE CONSTANTS; LAYERED SEMICONDUCTORS; LEAD COMPOUNDS; PEROVSKITE; PEROVSKITE SOLAR CELLS; PHASE TRANSITIONS; SOLAR CELLS; TEMPERATURE;

AB INITIO CALCULATIONS; CRITICAL RATIO; GRADUAL CHANGES; LOW TEMPERATURES; OCTAHEDRAL TILTING; ORTHORHOMBIC PHASE; PHOTOVOLTAIC APPLICATIONS; STRUCTURAL PHASE TRANSITION;

IODINE COMPOUNDS;

EID: 84923339779     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz502740d     Document Type: Article

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