DFT study on the interaction between hydrogen sulfide ions and cerussite (110) surface

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• 作者：Qicheng Feng^a ; Shuming Wen^a ; ^{fqckmust@126.com} ; Jiushuai Deng^a ; ^{dengshuai689@126.com} ; Wenjuan Zhao^b
• 关键词：Cerussite ; HS&minus ; ions ; Interaction products ; Surface adsorption ; DFT
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：28 February 2017
• 年：2017
• 卷：396
• 期：Complete
• 页码：920-925
• 全文大小：1608 K
• 卷排序：396

文摘

Pb atoms are calculated to be the dominating active sites on cerussite surfaces. Oxidation of the HS− ions is involved in the adsorption process. DFT results confirm the formation of lead sulfide species on cerussite surfaces.