Pathways of polaron and bipolaron transport in DNA double strands.

Pathways of polaron and bipolaron transport in DNA double strands.
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DOI:
10.1063/1.2902279
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发表时间:
2008-04
期刊:
The Journal of chemical physics
影响因子:
--
通讯作者:
Jianhua Wei;X. J. Liu;J. Berakdar;Yijing Yan
Jianhua Wei;X. J. Liu;J. Berakdar;Yijing Yan
中科院分区:
其他
文献类型:
--
作者:
Jianhua Wei;X. J. Liu;J. Berakdar;Yijing Yan

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本文利用扩展的Su-Schrieffer-Heeger模型研究了DNA双链中极化子和双极化子的输运途径。我们发现,低温高电场下极化子/双极化子的长程输运是场促进的有序隧穿过程,通过多条链内和链间通道穿过空间无序势垒.尽管在某些DNA序列中,链间途径可能非常活跃和有效,但当多余的电荷靠近最终受体时,链内途径总是主导电荷转移。
We investigate the pathways of polaron and bipolaron transports in DNA double strands with an extended Su-Schrieffer-Heeger model involving the effects of solvent polarization. We find that the long-range transport of polaron/bipolaron under high electric field at low temperature is the field-facilitated sequential tunneling through spatial-disordered potential barriers via multiple intrastrand and interstrand pathways. Although the interstrand pathways may be very active and effective in some DNA sequences, the intrastrand ones always dominate the charge transfer when the excess charge moves close to the final acceptor.