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- W2363486242 abstract "Charge transport properties of tricycloquinazoline and its derivatives have been investigated theoretically on the basis of semi-classical Marcus theory and density functional theory at B3LYP/6- 31G~(**) level.The results show that the hole-transporting rate of sulfur methyl substitutes,1.77×10~(12) s~(-1),is the same as its electron-transporting rate.This predicts that sulfur methyl substitutes can be used as the hole-transporting and electron-transporting materials.The hole-transporting carrier mobilityμ+ and rate constant k+ of hydroxyl substitutes,alkoxy substitutes and sulphur substitutes are one order of magnitude higher than those of TOH and HATOH liquid crystal molecules and two orders of magnitude higher than their electron-transporting carrier mobility and rate constant.It shows that choosing tricycloquinazoline as rigid core to synthesis discotic liquid crystal semi-conductor materials is helpful for hole-transporting and can be used as a good hole-transporting material." @default.
- W2363486242 created "2016-06-24" @default.
- W2363486242 creator A5075198995 @default.
- W2363486242 date "2012-01-01" @default.
- W2363486242 modified "2023-09-28" @default.
- W2363486242 title "Study on charge transport properties of tricycloquinazoline and its derivatives" @default.
- W2363486242 hasPublicationYear "2012" @default.
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