银离子对DNA碱基对的横向电输运特性的影响

计算物理 ›› 2009, Vol. 26 ›› Issue (5): 767-772.

银离子对DNA碱基对的横向电输运特性的影响

张霞^1,2, 董瑞新¹, 崔守鑫¹, 班戈¹, 李珂¹, 韩洪文¹

1. 聊城大学物理科学与信息工程学院, 山东聊城 252059;
2. 临沂市第四中学, 山东临沂 276000

收稿日期:2008-04-24 修回日期:2008-10-23 出版日期:2009-09-25 发布日期:2009-09-25
作者简介:张霞(1978-),女,山东省临沂市,硕士生,主要从事DNA电输运的研究工作.
基金资助:
国家自然科学基金(60571062);山东省自然科学基金(Y2004G09)资助项目

Transversal Electronic Transport of Base Pairs with a Silver Ion

ZHANG Xia^1,2, DONG Ruixin¹, CUI Shouxin¹, BAN Ge¹, LI Ke¹, HAN Hongwen¹

1. School of Physics Science and Information Engineering, Liaocheng University, Liaocheng 252059, China;
2. No.4 Middle School of Linyi, Linyi 276000, China

Received:2008-04-24 Revised:2008-10-23 Online:2009-09-25 Published:2009-09-25

摘要/Abstract

摘要： 以密度泛函理论为基础,利用非平衡格林函数方法研究DNA的两碱基对分别与Au电极耦合的两电极体系的电输运特性.首先计算电极-碱基对间距对碱基对横向输运性质的影响,发现碱基对的电导对距离的变化非常敏感,呈剧烈的振荡变化.然后在电极距离固定的情况下,计算系统在低偏压下的横向传输特性,并对与银离子结合前后的碱基对的横向传输特性进行比较.结果发现,加入银离子后,G-C碱基对的导电能力下降,A-T碱基对的电导增大.

关键词: 伏安特性, DNA碱基对, 非平衡格林函数方法

Abstract: Electronic transport of a two-probe system consisting of Au (111) electrodes and two base pairs sandwiched between Au (111) contacts is investigated with density functional theory combined with non-equilibrium Green's function method.It shows that conductance of base pairs is sensitive to distance between electrodes and oscillates.At a fixed gap between electrodes,transverse transport of base pairs under low bias is calculated and is compared with base pairs with a silver ion.It shows that conductive capability of G-C decreases and that of A-T increases as silver ions are combined with base pairs.

Key words: I-V characteristics, DNA base pair, non-equilibrium Green's function method

中图分类号:

O411.3

张霞, 董瑞新, 崔守鑫, 班戈, 李珂, 韩洪文. 银离子对DNA碱基对的横向电输运特性的影响[J]. 计算物理, 2009, 26(5): 767-772.

ZHANG Xia, DONG Ruixin, CUI Shouxin, BAN Ge, LI Ke, HAN Hongwen. Transversal Electronic Transport of Base Pairs with a Silver Ion[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2009, 26(5): 767-772.