A DFT study of the acid–base properties of anatase TiO 2 and tetragonal ZrO 2 by adsorption of CO and CO 2 probe molecules

出版年份 2016 全文链接

标题

作者

关键词

Oxide surfaces, Density functional theory, Acid–base properties, Vibrational frequencies, CO and CO, 2, adsorption

出版物

Volume 652, Issue -, Pages 163-171

出版商

Elsevier BV

发表日期

2016-02-18

DOI

10.1016/j.susc.2016.02.008

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