Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

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• 作者：Chunjiang Zhao^a ; ^b ; ^c ; ^{zhaocj_nercita@163.com} ; Huarui Wu^a ; ^b ; ^c ; ^{wuhrnercita@163.com}
• 关键词：Pyridine-like nitrogen doped graphene ; Palladium cluster ; Mercury ; Arsenic ; Adsorption
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：31 March 2017
• 年：2017
• 卷：399
• 期：Complete
• 页码：55-66
• 全文大小：5023 K
• 卷排序：399

文摘

PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH3 adsorption. The efficiency of a sorbent can be tuned by tailoring the εd of adsorbed metals.