Carbon nanotubes interacting with vitamins: First principles calculations

被引：23

作者：

de Menezes, Vivian M. ^{[2
]}

Fagan, S. B. ^{[1
]}

Zanella, I. ^{[1
]}

Mota, R. ^{[2
]}

机构：

[1] UNIFRA, Ctr Univ Franciscano, Area Ciencias Nat & Tecnol, BR-97010032 Santa Maria, RS, Brazil

[2] Univ Fed Santa Maria, UFSM, Dept Fis, BR-97105900 Santa Maria, RS, Brazil

来源：

MICROELECTRONICS JOURNAL | 2009年 / 40卷 / 4-5期

关键词：

Carbon nanotube; Vitamin; Density functional theory; AB-INITIO; DERMATOLOGY;

D O I：

10.1016/j.mejo.2008.11.053

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Electronic and structural properties of carbon nanotubes interacting with vitamins C and B3 radicals are analyzed through the density functional theory. The radical adsorptions result in modifications on the structural and electronic properties of the original carbon nanotubes. The strong adsorptions resulting from the combination of the carbon nanotubes with ascorbic acid and nicotinamide allow the manipulation of the resulting systems in a stable way. These results are extremely relevant in order to identify the potential applications of functionalized carbon nanotubes as drug delivery systems or molecule sensors. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：877 / 879

页数：3

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