Adsorption of CO gas molecules on zigzag BN/A1N nanoribbons for nano sensor applications

被引：50

作者：

Yogi, Rachana ^{[1
]}

Jaiswal, Neeraj K. ^{[1
]}

机构：

[1] Indian Inst Informat Technol Design & Mfg, Discipline Phys, Jabalpur 482005, MP, India

来源：

PHYSICS LETTERS A | 2019年 / 383卷 / 06期

关键词：

Boron nitride; Aluminum nitride; Nanoribbon; Sensor; Half-metallicity; BORON-NITRIDE NANORIBBONS; SULFUR-DIOXIDE; 1ST-PRINCIPLES; TOXICITY; EXPOSURE;

D O I：

10.1016/j.physleta.2018.11.024

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principle calculations have been performed to study the sensing of CO gas in various considered configurations. The adsorption of CO on zigzag BN nanoribbon (TBNNR) and zigzag AIN nanoribbon (ZAINNR) was modelled in five different possibilities. The effect of CO adsorption is to reduce the band gap in both types (BN/AIN) of the nanoribbons. Interestingly, a finite magnetic moment (0.96 mu(B) for ZBNNR and 0.69 mu(B) for ZAINNR) has been obtained which depends upon the adsorption configuration of CO. Half-metallicity was also observed upon selective CO adsorption on ZAINNR irrespective of the ribbon width. Present findings suggest that CO gas molecules could be detected through adsorption on BN/AIN nanoribbons via changes in electronic and/or magnetic properties. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：532 / 538

页数：7

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