Prediction of a Stable Organic Metal-Free Porous Material as a Catalyst for Water-Splitting
Abstract
:1. Introduction
2. Results and Discussion
3. Method and Computational Details
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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N | 1 | 2 | 3 | 4 | 5 | 6 | N |
---|---|---|---|---|---|---|---|
WF (eV) | 5.30 | 5.28 | 5.30 | 5.26 | 5.29 | 5.30 | 5.30 |
Eg (eV) | 2.89 | 2.50 | 2.40 | 2.38 | 2.36 | 2.35 | 2.35 |
ΔEg (eV) | 0.00 | 0.39 | 0.49 | 0.51 | 0.53 | 0.54 | 0.54 |
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Li, H.; Hu, H.; Bai, C.; Bao, C.; Liu, C.; Wang, Q.; Guo, F.; Feng, Z.; Yu, H.; Chen, M.; et al. Prediction of a Stable Organic Metal-Free Porous Material as a Catalyst for Water-Splitting. Catalysts 2020, 10, 836. https://doi.org/10.3390/catal10080836
Li H, Hu H, Bai C, Bao C, Liu C, Wang Q, Guo F, Feng Z, Yu H, Chen M, et al. Prediction of a Stable Organic Metal-Free Porous Material as a Catalyst for Water-Splitting. Catalysts. 2020; 10(8):836. https://doi.org/10.3390/catal10080836
Chicago/Turabian StyleLi, Hengshuai, Haiquan Hu, Chenglin Bai, Chunjiang Bao, Cailong Liu, Qinglin Wang, Feng Guo, Zhenbao Feng, Hanwen Yu, Ming Chen, and et al. 2020. "Prediction of a Stable Organic Metal-Free Porous Material as a Catalyst for Water-Splitting" Catalysts 10, no. 8: 836. https://doi.org/10.3390/catal10080836