单壁碳纳米管拓扑缺陷及其对气敏机理影响的从头算研究

A. Srirangarajan, M. Upadhyay Kahaly
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引用次数: 3

摘要

基于碳纳米管的传感器由于其高选择性、灵敏度、快速响应和恢复时间、低工作温度和低功耗而越来越受欢迎。然而,由于碳纳米管内部具有很强的sp2碳-碳键,无缺陷碳纳米管壁与气体分子之间的相互作用相对较弱,因此,碳纳米管的电子输运性质对碳纳米管暴露于各种气体分子不敏感。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Ab initio study of topological defects in single walled carbon nanotubes and their effect on gas sensing mechanism
Carbon Nanotubes based sensors are gaining popularity due to their high selectivity, sensitivity, fast response and recovery time, low operating temperatures and low power consumption. However, due to a strong sp2 carbon-carbon bonding within CNTs, the interaction between defect free CNT walls and gas molecules had been expected to be relatively weak and consequently, the electronic transport properties of the nanotubes are insensitive to the exposure of CNTs to various gas molecules.
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