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- W2361785890 abstract "Discotic liquid crystal molecular of Truxene derivatives is used as charge transport material and photoconductive material in organic electronic material area.Charge transport property of Truxene derivatives molecular with five different alkoxy chain lengths substituted(n= 1,3,5,8,10) has been investigated theoretically on the basis of semi-classical Marcus theory and density functional theory at B3LYP/6-31+G** level.The calculation results show that charge transfer matrix t is the main factor which affects molecular charge transport.For the five molecules,with the increase of alkoxy chain length,the range of positive and negative charge transport reorganization energy is 16.01~16.91 kJ/ mol and 22.35-23.68 kJ/mol respectively.The hole transfer matrix t_+ decreases more than 1.5 times and the hole-transport carriersμ_+ reduces migration rates more than two times;negative charge transfer matrix element t_- almost stays the same and negative charge transport rate constantμ_- increases two orders of magnitude.It indicates that the increase of alkoxy chain length is harmful to positive charge transport but good for negative charge transport." @default.
- W2361785890 created "2016-06-24" @default.
- W2361785890 creator A5010035918 @default.
- W2361785890 date "2012-01-01" @default.
- W2361785890 modified "2023-09-25" @default.
- W2361785890 title "Effects of alkoxy chain length on charge transport properties of Truxene molecule" @default.
- W2361785890 hasPublicationYear "2012" @default.
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