Accelerated prediction of Cu-based single-atom alloy catalysts for CO2 reduction by machine learning

Green Energy and Environment - Tập 8 - Trang 820-830 - 2023
Dashuai Wang1, Runfeng Cao1, Shaogang Hao2, Chen Liang1, Guangyong Chen3, Pengfei Chen4, Yang Li5, Xiaolong Zou1
1Shenzhen Geim Graphene Center, Tsinghua-Berkeley Shenzhen Institute & Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen, 518055, China
2Tencent, Shenzhen, 518054, China
3Shenzhen Key Laboratory of Virtual Reality and Human Interaction Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, 518055, China
4Department of Mechanical and Automation Engineering, The Chinese University of Hong Kong, Hong Kong, 999077, China
5Tsinghua-Berkeley Shenzhen Institute, Tsinghua University, Shenzhen, 518055, China

Tài liệu tham khảo

Kuhl, 2014, J. Am. Chem. Soc., 136, 14107, 10.1021/ja505791r Kibria, 2019, Adv. Mater., 31, 1807166, 10.1002/adma.201807166 Hori, 1985, Chem. Lett., 14, 1695, 10.1246/cl.1985.1695 Peterson, 2012, J. Phys. Chem. Lett., 3, 251, 10.1021/jz201461p Kortlever, 2015, J. Phys. Chem. Lett., 6, 4073, 10.1021/acs.jpclett.5b01559 Hagman, 2018, J. Am. Chem. Soc., 140, 12974, 10.1021/jacs.8b07906 Bagger, 2019, ACS Catal., 9, 7894, 10.1021/acscatal.9b01899 Tang, 2020, ACS Catal., 10, 2026, 10.1021/acscatal.9b03814 Ren, 2018, Nat. Commun., 9, 1, 10.1038/s41467-017-02088-w Tran, 2018, Nat. Catal., 1, 696, 10.1038/s41929-018-0142-1 Zhong, 2020, Nature, 581, 178, 10.1038/s41586-020-2242-8 Chen, 2020, J. Am. Chem. Soc., 142, 12760, 10.1021/jacs.0c04981 Hori, 2003, J. Mol. Catal. Chem., 199, 39, 10.1016/S1381-1169(03)00016-5 Cheng, 2021, Nat. Commun., 12, 395, 10.1038/s41467-020-20615-0 Montoya, 2015, J. Phys. Chem. Lett., 6, 2032, 10.1021/acs.jpclett.5b00722 Li, 2014, Nature, 508, 504, 10.1038/nature13249 Zhou, 2018, Nat. Chem., 10, 974, 10.1038/s41557-018-0092-x Kim, 2014, Nat. Commun., 5, 4948, 10.1038/ncomms5948 Zhang, 2015, Proc. Natl. Acad. Sci. U. S. A., 112, 15809, 10.1073/pnas.1522496112 Hannagan, 2020, Chem. Rev., 120, 12044, 10.1021/acs.chemrev.0c00078 Pérez-Ramírez, 2019, Nat. Catal., 2, 971, 10.1038/s41929-019-0376-6 Cheng, 2016, ACS Catal., 6, 7769, 10.1021/acscatal.6b01393 Xu, 2018, Nat. Catal., 1, 339, 10.1038/s41929-018-0063-z Zhang, 2019, ACS Catal., 9, 9350, 10.1021/acscatal.9b01677 Chen, 2019, Adv. Energy Mater., 9, 1803913, 10.1002/aenm.201803913 Chan, 2016, J. Phys. Chem. Lett., 7, 1686, 10.1021/acs.jpclett.6b00382 Chan, 2015, J. Phys. Chem. Lett., 6, 2663, 10.1021/acs.jpclett.5b01043 Chan, 2020, Nat. Commun., 11, 5954, 10.1038/s41467-020-19369-6 Gong, 2019, Adv. Energy Mater., 9, 1902625, 10.1002/aenm.201902625 Luo, 2020, J. Mater. Chem. A, 8, 15809, 10.1039/D0TA00033G Liu, 2018, Adv. Funct. Mater., 28, 1800499, 10.1002/adfm.201800499 Zhao, 2018, J. Phys. Chem. C, 122, 19712, 10.1021/acs.jpcc.8b06494 Liu, 2017, Nat. Commun., 8, 15438, 10.1038/ncomms15438 Greeley, 2006, Nat. Mater., 5, 909, 10.1038/nmat1752 Cheng, 2017, J. Am. Chem. Soc., 139, 11642, 10.1021/jacs.7b03300 Zou, 2017, ACS Catal., 7, 6245, 10.1021/acscatal.7b01839 Chen, 2020, J. Phys. Chem. C, 124, 22471, 10.1021/acs.jpcc.0c05964 Song, 2020, Chin. Phys. B, 29, 116103, 10.1088/1674-1056/abc0e3 Ma, 2015, J. Phys. Chem. Lett., 6, 3528, 10.1021/acs.jpclett.5b01660 Yang, 2020, J. Mater. Chem. A, 8, 17507, 10.1039/D0TA06203K Artrith, 2021, Nat. Chem., 13, 505, 10.1038/s41557-021-00716-z Calle-Vallejo, 2015, Science, 350, 185, 10.1126/science.aab3501 Calle-Vallejo, 2014, Angew. Chem. Int. Ed., 53, 8316, 10.1002/anie.201402958 Toyao, 2018, J. Phys. Chem. C, 122, 8315, 10.1021/acs.jpcc.7b12670 Saxena, 2020, J. Mater. Chem. A, 8, 107, 10.1039/C9TA07651D Lu, 2020, Catal. Sci. Technol., 10, 86, 10.1039/C9CY02070E Pearson, 1895, Proc. Roy. Soc. Lond., 58, 240, 10.1098/rspl.1895.0041 Chen, 2019, J. Am. Chem. Soc., 141, 11651, 10.1021/jacs.9b04956 Dombi, 1995, J. Trauma Injury Infect. Crit. Care, 39, 915, 10.1097/00005373-199511000-00016 Tenenbaum, 2000, Science, 290, 2319, 10.1126/science.290.5500.2319 Zhuang, 2018, Nat. Catal., 1, 421, 10.1038/s41929-018-0084-7 Vasileff, 2019, ACS Catal., 9, 9411, 10.1021/acscatal.9b02312 Jeon, 2019, J. Am. Chem. Soc., 141, 19879, 10.1021/jacs.9b10709 Jiao, 2019, Nat. Chem., 11, 222, 10.1038/s41557-018-0201-x Gu, 2021, J. Energy Chem., 36, 285, 10.1016/j.jechem.2021.08.004 Marcinkowski, 2018, Nat. Chem., 10, 325, 10.1038/nchem.2915 Wang, 2020, Proc. Natl. Acad. Sci. U. S. A., 117, 12572, 10.1073/pnas.1821683117 Xu, 2020, Green Energy Environ., 5, 286, 10.1016/j.gee.2020.07.006 Kresse, 1996, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169 Kresse, 1999, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758 Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 Hammer, 1999, Phys. Rev. B, 59, 7413, 10.1103/PhysRevB.59.7413 Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Pedregosa, 2011, J. Mach. Learn. Res., 12, 2825
Thông tin
Thông tin xuất bản

Green Energy and Environment

Tập 8

820-830

Thông tin tác giả