{"title":"溶剂对P3HT-PCBM玻璃化转变温度、分子扩散和重取向影响的多尺度研究","authors":"Min Huang, Manhua Liu","doi":"10.1117/12.2061735","DOIUrl":null,"url":null,"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.","PeriodicalId":358951,"journal":{"name":"Optics & Photonics - Photonic Devices + Applications","volume":"9184 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2014-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Multiscale study of the effect of solvent on the glass transition temperature, molecule diffusion, and reorientation of P3HT-PCBM\",\"authors\":\"Min Huang, Manhua Liu\",\"doi\":\"10.1117/12.2061735\",\"DOIUrl\":null,\"url\":null,\"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.\",\"PeriodicalId\":358951,\"journal\":{\"name\":\"Optics & Photonics - Photonic Devices + Applications\",\"volume\":\"9184 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2014-10-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Optics & Photonics - Photonic Devices + Applications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1117/12.2061735\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Optics & Photonics - Photonic Devices + Applications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.2061735","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Multiscale study of the effect of solvent on the glass transition temperature, molecule diffusion, and reorientation of P3HT-PCBM
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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