First-principles study of l-cysteine adsorption on vacancy graphene and Ag-doped graphene

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• 作者：Huijuan Luo ; Hejun Li ; ^{lihejun@nwpu.edu.cn} ; Qiangang Fu ; ^{fuqiangang@nwpu.edu.cn}
• 关键词：Graphene ; Adsorption ; Biomolecules ; l-Cysteine ; Density functional theory calculations
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：222-229
• 全文大小：1559 K
• 卷排序：127

文摘

Influences of the vacancy type and the Ag dopant on l-cysteine adsorption are investigated. The dangling C atom is warped for stable chemisorption in vacancy graphenes. Two-step energy barrier leads to different adsorption types and adsorption energies. Room temperature application potential is explored.