Importance of the reorganization energy barrier in computational design of porphyrin-based solar cells with cobalt-based redox mediators

Journal of Physical Chemistry C

Volumn 119, Issue 23, 2015, Pages 12792-12800

  Ørnsø, Kristian B ^a   Jónsson, Elvar Ö ^a,b   Jacobsen, Karsten W ^a   Thygesen, Kristian S ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COBALT; DYE-SENSITIZED SOLAR CELLS; MOLECULAR DYNAMICS; PORPHYRINS; REACTION KINETICS; SOLAR CELLS; ZINC COMPOUNDS;

AB INITIO MOLECULAR DYNAMICS; COMPUTATIONAL DESIGN; DYE REGENERATION; EXPLICIT SOLVENTS; EXTRAPOLATION SCHEMES; HIGHER EFFICIENCY; INTERNAL REORGANIZATIONS; REORGANIZATION ENERGIES;

COBALT COMPOUNDS;

EID: 84935916523     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp512627e     Document Type: Article

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