您好，欢迎访问北京市农林科学院 机构知识库！
北京市农林科学院机构知识库

全部

  • 全部
  • 标题
  • 学者
  • 机构
  • 关键词

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

文献类型： 外文期刊

作者： Zhao, Chunjiang 1 ; Wu, Huarui 1 ;

作者机构： 1.Natl Engn Res Ctr Informat Technol Agr, Beijing 100097, Peoples R China

2.Beijing Acad Agr & Forestry Sci, Beijing Res Ctr Informat Technol Agr, Beijing 100097, Peoples R China

3.Minist Agr, Key Lab Informat Technol Agr, Beijing 100097, Peoples R China

关键词： Pyridine-like nitrogen doped graphene;Palladium cluster;Mercury;Arsenic;Adsorption

期刊名称：APPLIED SURFACE SCIENCE （ 影响因子：6.707； 五年影响因子：5.905 ）

ISSN：

年卷期：

页码：

收录情况： SCI

摘要： Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd-n (n=1-6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH3 adsorption on PNG. The adsorption ability of Hg on Pd-n decorated PNG is found to be related to the d-band center (epsilon(d)) of the Pd, in which the closer epsilon(d) of Pd-n to the Fermi level, the higher adsorption strength for Hg on Pd-n, decorated PNG. Moreover, the charge transfer between Pd and arsenic may constitute arsenic adsorption on Pd-n decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ed of adsorbed metals. (C) 2016 Elsevier B.V. All rights reserved.

  • 相关文献

[1]A first-principles study on the interaction of biogas with noble metal (Rh, Pt, Pd) decorated nitrogen doped graphene as a gas sensor: A DFT study. Zhao, Chunjiang,Wu, Huarui,Zhao, Chunjiang,Wu, Huarui,Zhao, Chunjiang,Wu, Huarui. 2018

[2]Mercury Fluxes And Pools In Three Subtropical Forested Catchments, Southwest China. Wang, Zhangwei,Zhang, Xiaoshan,Zhijia, Ci,Xiao, Jingsong,Yu, Pingzhong.

[3]Evaluation of bioaugmentation and biostimulation on arsenic remediation in soil through biovolatilization. Chen, Peng,Li, Jin,Wang, Hong-Yan,Sun, Guo-Xin,Chen, Peng,Li, Jin,Zheng, Rui-Lun.

[4]Adsorption and photocatalytic decomposition of roxarsone by TiO2 and its mechanism. Lu, Donglei,Wang, Wei,Yuan, Shoujun,Hu, Zhen-Hu,Ji, Feng,Wang, Wei,Yuan, Shoujun,Hu, Zhen-Hu,Chen, Tianhu. 2014

[5]Removal of roxarsone from aqueous solution by Fe/La-modified montmorillonite. Wang, Ya-Jiao,Wang, Wei,Yuan, Shou-Jun,Hu, Zhen-Hu,Ji, Feng,Wang, Wei,Yuan, Shou-Jun,Hu, Zhen-Hu. 2016

[6]Adsorption characteristics of 4-hydroxy-3-aminophenylarsonic acid (HAPA) onto anaerobic granular sludge. Li, Jun-Chao,Yuan, Shou-Jun,Wang, Wei,Hu, Zhen-Hu,Ji, Feng,Yuan, Shou-Jun,Wang, Wei,Hu, Zhen-Hu. 2016

[7]A comprehensive study on activated carbon prepared from spent shiitake substrate via pyrolysis with ZnCl2. Ma, Yuhui,Wang, Qunhui,Wang, Xiaona,Sun, Xiaohong,Wang, Xiaoqiang. 2015

[8]Factor effects and mechanisms of the adsorption of Hg(II), Cd(II) and Ni(II) on charged liposomes. Gong, Wenwen,Yu, Yanjun,Liu, Xinhui,Cui, Baoshan,Bai, Junhong,Gong, Wenwen,Liang, Gang,Han, Ping. 2018

作者其他论文 更多>>
置顶
购物车
反馈

© 京ICP备09089781号-29 主办单位：北京市农林科学院

学术资源： 中国农业科学院 农业专业知识服务系统 农科联盟资源共建共享平台 中国农业科技文献与信息服务平台 中国农业期刊集成服务平台