First-principles study of lead iodide perovskite tetragonal and orthorhombic phases for photovoltaics

Journal of Physical Chemistry C

Volumn 118, Issue 34, 2014, Pages 19565-19571

  Geng, Wei ^a   Zhang, Le ^a   Zhang, Yan Ning ^a,b   Lau, Woon Ming ^a,b   Liu, Li Min ^a  

^a BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

^b Chengdu Green Energy and Green Manufacturing Technology R and D Center   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; HYDROGEN BONDS; LEAD COMPOUNDS; PEROVSKITE; SINGLE CRYSTALS; ELECTROMAGNETIC WAVE ABSORPTION; ENERGY GAP; LIGHT ABSORPTION; OPTICAL CORRELATION; OPTICAL PROPERTIES; SOLAR CELLS; VAN DER WAALS FORCES;

ELECTRONIC AND OPTICAL PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; INORGANIC MATRICES; OPTICAL ABSORPTION COEFFICIENTS; ORTHORHOMBIC PHASIS; SOLID STATE SOLAR CELLS; TETRAGONAL PHASE;

VAN DER WAALS FORCES; CALCULATIONS;

EID: 84906855700     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp504951h     Document Type: Article

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