NO₂ adsorption behaviour on germanene nanosheet - A first-principles investigation

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• 作者：V. Nagarajan ; R. Chandiramouli ; ^{rcmoulii@gmail.com}
• 关键词：Germanene ; NO2 ; Adsorption ; Nanosheet ; Formation energy ; Mulliken charge
• 刊名：Superlattices and Microstructures
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：101
• 期：Complete
• 页码：160-171
• 全文大小：3702 K
• 卷排序：101

文摘

The electronic properties of pristine, In and P substituted germanene nanosheet is studied. The favourable adsorption sites of NO2 on germanene nanosheet are studied in atomistic level. Germanene nanosheet can be used as NO2 sensor. The adsorption of NO2 gas molecule on pristine germanene nanosheet is observed to be more favorable.