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Promotion of the water–gas shift reaction by pre-adsorbed oxygen on Cu(hkl) surfaces: a theoretical study |
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| Authors: | Ling Jiang Gui-Chang Wang Zun-Sheng Cai Yin-Ming Pan Xue-Zhuang Zhao |
| Affiliation: | Department of Chemistry, Nankai University, Tianjin 300071, People's Republic of China |
| Abstract: | |
| Keywords: | Water–gas shift reaction Cu(1 1 1) Cu(1 0 0) Cu(1 1 0) Pre-adsorbed oxygen Density functional calculations UBI-QEP Activation barrier |
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