Quantum Electronic Stability in Selective Enrichment of Carbon Nanotubes

被引：35

作者：

Ogunro, Olayinka O.

Wang, Xiao-Qian ^{[1
]}

机构：

[1] Clark Atlanta Univ, Dept Phys, Atlanta, GA 30314 USA

来源：

NANO LETTERS | 2009年 / 9卷 / 03期

基金：

美国国家科学基金会;

关键词：

TRANSISTORS; SHELL;

D O I：

10.1021/nl803379d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have studied the structural and electronic stability of a helical ribbon of flavin mononucleotide wrapping around single-walled carbon nanotubes using first-principles density-functional calculations. The helical ribbon is formed through hydrogen bonding between adjacent uracil moieties of the isoalloxazine ring and stabilized through concentric pi-pi interactions. The electronic structure calculations reveal quantum electronic stability associated with lattice registry and band alignment between the helical assembly and the (8,6) nanotube. The electronic stability plays an essential role in the experimentally observed highly selective enrichment of specific chirality tubes.

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页码：1034 / 1038

页数：5

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