| Effects of Various Dopants on Solitons in Polyacetylene |
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| 作者姓名： | Wang Rongshun and Huang Zhonghao |
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| 作者单位： | Wang Rongshun and Huang Zhonghao (Department of Chemistry，Northeast Normal University，Changchun)Meng Lingpeng (Department of Chemistry，Hebei Teacher's College，Shijiazhuang) |
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| 摘 要： | The effects of various dopants on solitons in polyacetylene were studied by using CNDO/2 level semiempirical quantum chemical method. The width of solitons is reduced when dopant is present, and the charge density wave(CDW) is further gathered on the carbon atom in soliton center. The effects of p-type of dopants are greater than those of n-type of ones. The charge transfer in doped polyacetylene can be achieved by the propagation of CDW along the chain. The conductivity of doped polyacetylene is proportional to the quantity of charge transfer between dopant and polyacetylene chain.
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Effects of Various Dopants on Solitons in Polyacetylene |
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| Wang Rongshun and Huang Zhonghao.Effects of Various Dopants on Solitons in Polyacetylene[J].Chemical Research in Chinese University,1991(4). |
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| Authors: | Wang Rongshun and Huang Zhonghao |
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| Abstract: | The effects of various dopants on solitons in polyacetylene were studied by using CNDO/2 level semiempirical quantum chemical method. The width of solitons is reduced when dopant is present, and the charge density wave(CDW) is further gathered on the carbon atom in soliton center. The effects of p-type of dopants are greater than those of n-type of ones. The charge transfer in doped polyacetylene can be achieved by the propagation of CDW along the chain. The conductivity of doped polyacetylene is proportional to the quantity of charge transfer between dopant and polyacetylene chain. |
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| Keywords: | Polyacetylene Soliton Charge density wave Dopant |
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