Structure and property of multiple amino acids assembled on the surface of a CNT

详细信息    查看全文

• 作者：Cuihong Wang ; ^{cuihong1231@163.com} ; Guangwu Yang ; Yue Jiang
• 关键词：Multiple amino acids ; Carbon nanotube ; Interaction energy ; Molecular orbital
• 刊名：Physica E: Low-dimensional Systems and Nanostructures
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：85
• 期：Complete
• 页码：7-12
• 全文大小：1811 K
• 卷排序：85

文摘

The interaction of multiple amino acids with CNTs was investigated. The density functional tight-binding scheme were used for the systems under study. Full structural optimization was performed for several possible complexes. The interactions of Ser with CNT are stronger than the other Ser for the complexes. The interaction energies for the (n, n)/Serk complexes are larger than (n, 0)/Serk.