教師資料查詢 | 類別: 期刊論文 | 教師: 王伯昌 WANG, BO-CHENG (瀏覽個人網頁)

標題:Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene
學年105
學期1
出版(發表)日期2016/12/16
作品名稱Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene
作品名稱(其他語言)
著者Jin-Pei Deng; Wen-Hua Chuang; Chin-Kuen Tai; Hsien-Chang Kao; Jiunn-Hung Pan; Bo-Cheng Wang
單位
出版者
著錄名稱、卷期、頁數Chemical Physics Letters 664, pp.70–72
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.
關鍵字Defective graphene;Gas adsorption;Metal complexes
語言英文
ISSN0009-2614
期刊性質國外
收錄於SCI;
產學合作
通訊作者Bo-Cheng Wang
審稿制度
國別荷蘭
公開徵稿
出版型式,紙本
相關連結
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