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首页> 外文期刊>Journal of nano research >Sensing Caffeine and Nicotine with Biphenylene Carbon, alpha-Graphyne Sheet and Nanotube: A Density Functional Theory Study
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Sensing Caffeine and Nicotine with Biphenylene Carbon, alpha-Graphyne Sheet and Nanotube: A Density Functional Theory Study

机译：联苯碳，α-石墨烯片和纳米管传感咖啡因和尼古丁：密度泛函理论研究

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摘要

We have used density functional theory to study adsorption of caffeine and nicotine on carbon based nanostructures. The effect of caffeine and nicotine molecules on the electronic properties of alpha-graphyne, biphenylene carbon, and (4,0) nanotube based on alpha-graphyne were studied. It was found that caffeine and nicotine molecules were adsorbed strongly on these sheets and nanotube. The charges were transferred from molecules to the sheets and nanotube. Because of adsorption of these donor molecules, biphenylene carbon, alpha-graphyne sheet and nanotube become n-type semiconductors. Sensitivity of the electronic properties of these sheets and nanotube to adsorption of caffeine and nicotine indicate the carbon based nanostructures can be used for detection of caffeine and nicotine molecules.
机译：我们已经使用密度泛函理论研究了咖啡因和尼古丁在碳基纳米结构上的吸附。研究了咖啡因和尼古丁分子对基于α-石墨烯的α-石墨烯，联苯碳和（4,0）纳米管的电子性能的影响。发现咖啡因和尼古丁分子强烈吸附在这些薄层和纳米管上。电荷从分子转移到薄片和纳米管。由于这些供体分子的吸附，联苯碳，α-石墨烯片和纳米管成为n型半导体。这些薄片和纳米管的电子性质对咖啡因和尼古丁的吸附的敏感性表明，基于碳的纳米结构可用于检测咖啡因和尼古丁分子。

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