Efficient small toxic gaseous molecule scavengers in metal-defective graphene: A density functional analysis
學年 109
學期 2
出版（發表）日期 2021-02-26
作品名稱 Efficient small toxic gaseous molecule scavengers in metal-defective graphene: A density functional analysis
作品名稱（其他語言）
著者 Jin-Pei Deng; Wen-Hua Chuang; Hsien-Chang Kao; Bo-Cheng Wang
單位
出版者
著錄名稱、卷期、頁數 Journal of the Chinese Chemical Society v.68 n.3, p.517-521
摘要 The adsorption property of small toxic gaseous molecules (SO2, SO3, H2S, and N2O) with metal/hexa-vacancy defective graphene (denoted as HDG-M, M: Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) was determined by density functional theory. The results of these calculations show that the Fe2+ ion has the best and Cu2+ the worst absorption ability to capture all of the above toxic gases with selected adsorption orientation. These results can provide useful information for the application of the designed HDG-M adsorbents in food science and ecosystem monitoring.
關鍵字
語言 en
ISSN
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 是
國別 TWN
公開徵稿
出版型式 ,電子版,紙本
相關連結

機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/120869 )

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