Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene

淡江大學機構典藏 > 理學院 > 化學學系暨研究所 > 期刊論文 > Item 987654321/110046

請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/110046

題名:	Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene
作者:	Jin-Pei Deng;Wen-Hua Chuang;Chin-Kuen Tai;Hsien-Chang Kao;Jiunn-Hung Pan;Bo-Cheng Wang
關鍵詞:	Defective graphene;Gas adsorption;Metal complexes
日期:	2016-12
上傳時間:	2017-03-22 02:10:28 (UTC+8)
出版者:	Elsevier BV
摘要:	Density functional theory was applied to calculate the adsorption property of metal/hexa-vacancy defective graphene (denoted as HDG-M, M: Fe2+, Co2+, Ni2+, Cu2+ and Zn2+) with O- and N-dopants. We investigate the adsorption properties of these complexes between gaseous molecules and HDG-M. Our results show that HDG-Cu has a high selectivity for O2, but HDG-Fe has a good ability to capture many gases such as CO, NO and O2. Our calculations could provide useful information for designing new graphene-based adsorbents to remove undesired gases, which may poison the metal catalysts in reaction processes.
關聯:	Chemical Physics Letters 664, pp.70–72
DOI:	10.1016/j.cplett.2016.10.022
顯示於類別:	[化學學系暨研究所] 期刊論文

文件中的檔案:

檔案	描述	大小	格式	瀏覽次數
Density functional analysis of gaseous molecules adsorbed on metal ion defective nano-sheet graphene.pdf		251Kb	Adobe PDF	1	檢視/開啟
index.html		0Kb	HTML	258	檢視/開啟

在機構典藏中所有的資料項目都受到原著作權保護.

TAIR相關文章