NiO(111)表面重构对乙烷C—H键活化影响的DFT+U研究

喻婷婷, 宋卫余, 赵震, 刘坚

Effect of reconstruction of NiO(111) surface on the activation of C—H bond in ethane:a DFT+U study

Yu Tingting, Song Weiyu, Zhao Zhen, Liu Jian

工业催化 . 2018, (10): 85 -91 . DOI: 10.3969/j.issn.1008-1143.2018.10.012