Characterization of the tunneling conductance across DNA bases
Characterization of the tunneling conductance across DNA bases
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DOI：
10.1103/physreve.74.011919
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发表时间：
2006-07-01
影响因子：
2.4
通讯作者：
Zhao, Xiongce
中科院分区：
文献类型：
--
作者：
Zikic, Radomir;Krstic, Predrag S.;Zhao, Xiongce
DNA碱基（腺嘌呤、胞嘧啶、鸟嘌呤和胸腺嘧啶）的电特性的表征，除了建立关于DNA的这些基本成分的基础知识之外，是开发DNA测序技术的关键步骤。我们提出了一个第一性原理的电流-电压特性的DNA碱基的核苷酸样分子的研究，放置在一个1.5 nm的间隙之间形成的金纳米电极。隧道机制中的量子输运计算显示出强烈的变化与电极分子的几何形状和密度泛函理论交换相关泛函的选择。在零偏压极限的结果的分析表明，不同的DNA碱基的可区分的电流-电压特性是由基地和纳米电极的几何构象。(c)2006年，美国物理学会。
Characterization of the electrical properties of the DNA bases (adenine, cytosine, guanine, and thymine), in addition to building the basic knowledge on these fundamental constituents of a DNA, is a crucial step in developing a DNA sequencing technology. We present a first-principles study of the current-voltage characteristics of nucleotidelike molecules of the DNA bases, placed in a 1.5 nm gap formed between gold nanoelectrodes. The quantum transport calculations in the tunneling regime are shown to vary strongly with the electrode-molecule geometry and the choice of the density-functional theory exchange-correlation functionals. Analysis of the results in the zero-bias limit indicates that distinguishable current-voltage characteristics of different DNA bases are dominated by the geometrical conformations of the bases and nanoelectrodes. (c) 2006 American Institute of Physics.