| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383036 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠β-MnO2 with index (2 1 1) and (2-2-1) surfaces were studied using DFT. ⺠The activity of β-MnO2 (2 1 1) and (2-2-1) for ORR were evaluated in terms of DFT. ⺠The electron transfer from MnO2 (2-2-1) surface to O2 is easier than from MnO2. ⺠Desorption of ORR intermediates on MnO2 (2-2-1) is also easier than MnO2 (2 1 1).
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Authors
Li Li, Zidong Wei, Siguo Chen, Xueqiang Qi, Wei Ding, Meirong Xia, Rong Li, Kun Xiong, Zihua Deng, Yuanyuan Gao,