Molecular dynamics simulations on the aggregation behavior of indole type organic dye molecules in dye-sensitized solar cells

Journal of Molecular Modeling

Volumn 18, Issue 5, 2012, Pages 2099-2104

  Selvaraj, Ananda Rama Krishnan ^a   Hayase, Shuji ^a  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Diffusion coefficients (D); Dye sensitized solar cells; Flexibility; Indole dyes; MD simulation; Radial atom pair distribution function g(r); Root mean square deviations (RMSD)

Indexed keywords

ALKYL GROUP; CHENODEOXYCHOLIC ACID; DYE; INDOLE DERIVATIVE; ORGANIC COMPOUND; TITANIUM DIOXIDE;

ARTICLE; CONFORMATIONAL TRANSITION; DIFFUSION COEFFICIENT; DYE SENSITIZED SOLAR CELL; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; ENERGY RESOURCE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SEMICONDUCTOR; SIMULATION;

CHENODEOXYCHOLIC ACID; DIFFUSION; ELECTRICITY; ELECTRON TRANSPORT; GREEN CHEMISTRY TECHNOLOGY; INDOLES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; NANOSTRUCTURES; PHOTOCHEMICAL PROCESSES; SOLAR ENERGY; TITANIUM;

EID: 84861234377     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1230-1     Document Type: Article

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