Designing and screening single‐atom alloy catalysts for CO2 reduction to CH3OH via DFT and machine learning.
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| Title: | Designing and screening single‐atom alloy catalysts for CO2 reduction to CH3OH via DFT and machine learning. |
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| Authors: | Zhou, Wenyu1,2, Feng, Haisong2,3, Zhou, Shihong1, Wang, Mengxin1, Chen, Yuping1, Lu, Chenyang1, Yuan, Hao2, Yang, Jing2, Li, Qun1, Tan, Luxi1, tanluxi@cqu.edu.cn, Dong, Lichun1, lcdong72@cqu.edu.cn, Zhang, Yong‐Wei2, zhangyw@ihpc.a-star.edu.sg |
| Source: | AIChE Journal; Mar2025, Vol. 71 Issue 3, p1-13, 13p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 00011541 |
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| DOI: | 10.1002/aic.18678 |
