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    jsp.display-item.identifier=請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/120869

    题名: Efficient small toxic gaseous molecule scavengers in metal-defective graphene: A density functional analysis
    作者: Jin-Pei Deng;Wen-Hua Chuang;Hsien-Chang Kao;Bo-Cheng Wang
    日期: 2021-03
    上传时间: 2021-06-11 12:15:36 (UTC+8)
    出版者: Chinese Chemical Society(Taipei, ROC)
    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.
    關聯: Journal of the Chinese Chemical Society v.68 n.3, p.517-521
    DOI: 10.1002/jccs.202000483
    显示于类别:[化學學系暨研究所] 期刊論文


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