Determination of DNA-base orientation on carbon nanotubes through directional optical absorbance

被引:55
作者
Meng, Sheng
Wang, Wei L.
Maragakis, Paul
Kaxiras, Efthimios [1 ]
机构
[1] Harvard Univ, Sch Engn & Appl Sci, Dept Phys, Cambridge, MA 02138 USA
[2] DE Shaw Res, New York, NY 10036 USA
关键词
D O I
10.1021/nl070953w
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We develop an approach for determining the orientation of DNA bases attached to carbon nanotubes (CNTs), by combining ab initio time-dependent density functional theory and optical spectroscopy measurements. The structures we find are in good agreement with the geometry of nucleosides on a (10,0) CNT obtained from molecular simulations using empirical force fields. The results shed light into the complex interactions of the DNA-CNT system, a candidate for ultrafast DNA sequencing through electronic probes.
引用
收藏
页码:2312 / 2316
页数:5
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