Multiscale study of the effect of solvent on the glass transition temperature, molecule diffusion, and reorientation of P3HT-PCBM

Min Huang; Manhua Liu

doi:10.1117/12.2061735

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6 October 2014 Multiscale study of the effect of solvent on the glass transition temperature, molecule diffusion, and reorientation of P3HT-PCBM

Min Huang, Manhua Liu

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Proceedings Volume 9184, Organic Photovoltaics XV; 918422 (2014) https://doi.org/10.1117/12.2061735
Event: SPIE Organic Photonics + Electronics, 2014, San Diego, California, United States

Abstract

Exciton transport plays an important role in the overall exciton dissociation process and must be optimized to yield high efficient OPV device. In this contribution, the influence of solvents and the nanoscale phase separations they caused on the glass transition temperatures (Tg) of P3HT-PCBM mixture were studied by reverse mapping mesoscale simulation results back to the molecular dynamics. Glass transition temperatures of P3HT-PCBM without solvent and with chloroform, dichlorobenzene, and chlorobenzene were obtained. Diffusion and reorientation ability of molecules and their subgroups at the temperature near Tg were also discussed.

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Min Huang and Manhua Liu "Multiscale study of the effect of solvent on the glass transition temperature, molecule diffusion, and reorientation of P3HT-PCBM", Proc. SPIE 9184, Organic Photovoltaics XV, 918422 (6 October 2014); https://doi.org/10.1117/12.2061735

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