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Accelerated discovery of CO2 electrocatalysts using active machine learning

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  1. Bohua Ren & Guobin Wen & Rui Gao & Dan Luo & Zhen Zhang & Weibin Qiu & Qianyi Ma & Xin Wang & Yi Cui & Luis Ricardez–Sandoval & Aiping Yu & Zhongwei Chen, 2022. "Nano-crumples induced Sn-Bi bimetallic interface pattern with moderate electron bank for highly efficient CO2 electroreduction," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
  2. Xiaohan Yu & Yuting Xu & Le Li & Mingzhe Zhang & Wenhao Qin & Fanglin Che & Miao Zhong, 2024. "Coverage enhancement accelerates acidic CO2 electrolysis at ampere-level current with high energy and carbon efficiencies," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
  3. Yufei Cao & Zhu Chen & Peihao Li & Adnan Ozden & Pengfei Ou & Weiyan Ni & Jehad Abed & Erfan Shirzadi & Jinqiang Zhang & David Sinton & Jun Ge & Edward H. Sargent, 2023. "Surface hydroxide promotes CO2 electrolysis to ethylene in acidic conditions," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
  4. Tian, Di & Wu, Ruobing & Qu, Zhiguo & Wang, Hui, 2024. "A systematic analysis and optimization of bicarbonate electrolysis based on a bipolar membrane through multiscale simulation," Applied Energy, Elsevier, vol. 364(C).
  5. Hefei Li & Pengfei Wei & Tianfu Liu & Mingrun Li & Chao Wang & Rongtan Li & Jinyu Ye & Zhi-You Zhou & Shi-Gang Sun & Qiang Fu & Dunfeng Gao & Guoxiong Wang & Xinhe Bao, 2024. "CO electrolysis to multicarbon products over grain boundary-rich Cu nanoparticles in membrane electrode assembly electrolyzers," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
  6. Cheng Du & Joel P. Mills & Asfaw G. Yohannes & Wei Wei & Lei Wang & Siyan Lu & Jian-Xiang Lian & Maoyu Wang & Tao Guo & Xiyang Wang & Hua Zhou & Cheng-Jun Sun & John Z. Wen & Brian Kendall & Martin Co, 2023. "Cascade electrocatalysis via AgCu single-atom alloy and Ag nanoparticles in CO2 electroreduction toward multicarbon products," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
  7. Chang Jiang & Hongyuan He & Hongquan Guo & Xiaoxin Zhang & Qingyang Han & Yanhong Weng & Xianzhu Fu & Yinlong Zhu & Ning Yan & Xin Tu & Yifei Sun, 2024. "Transfer learning guided discovery of efficient perovskite oxide for alkaline water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-15, December.
  8. Tim Möller & Michael Filippi & Sven Brückner & Wen Ju & Peter Strasser, 2023. "A CO2 electrolyzer tandem cell system for CO2-CO co-feed valorization in a Ni-N-C/Cu-catalyzed reaction cascade," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
  9. Jin Zhang & Chenxi Guo & Susu Fang & Xiaotong Zhao & Le Li & Haoyang Jiang & Zhaoyang Liu & Ziqi Fan & Weigao Xu & Jianping Xiao & Miao Zhong, 2023. "Accelerating electrochemical CO2 reduction to multi-carbon products via asymmetric intermediate binding at confined nanointerfaces," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  10. Xiaoyun Lin & Xiaowei Du & Shican Wu & Shiyu Zhen & Wei Liu & Chunlei Pei & Peng Zhang & Zhi-Jian Zhao & Jinlong Gong, 2024. "Machine learning-assisted dual-atom sites design with interpretable descriptors unifying electrocatalytic reactions," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
  11. Jiawei Zhu & Yu Zhang & Zitao Chen & Zhenbao Zhang & Xuezeng Tian & Minghua Huang & Xuedong Bai & Xue Wang & Yongfa Zhu & Heqing Jiang, 2024. "Superexchange-stabilized long-distance Cu sites in rock-salt-ordered double perovskite oxides for CO2 electromethanation," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
  12. Stefan Ringe, 2023. "The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts," Nature Communications, Nature, vol. 14(1), pages 1-14, December.
  13. Weihua Guo & Siwei Zhang & Junjie Zhang & Haoran Wu & Yangbo Ma & Yun Song & Le Cheng & Liang Chang & Geng Li & Yong Liu & Guodan Wei & Lin Gan & Minghui Zhu & Shibo Xi & Xue Wang & Boris I. Yakobson , 2023. "Accelerating multielectron reduction at CuxO nanograins interfaces with controlled local electric field," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
  14. Jikai Sun & Rui Tu & Yuchun Xu & Hongyan Yang & Tie Yu & Dong Zhai & Xiuqin Ci & Weiqiao Deng, 2024. "Machine learning aided design of single-atom alloy catalysts for methane cracking," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
  15. Gong Zhang & Tuo Wang & Mengmeng Zhang & Lulu Li & Dongfang Cheng & Shiyu Zhen & Yongtao Wang & Jian Qin & Zhi-Jian Zhao & Jinlong Gong, 2022. "Selective CO2 electroreduction to methanol via enhanced oxygen bonding," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
  16. Adarsh Dave & Jared Mitchell & Sven Burke & Hongyi Lin & Jay Whitacre & Venkatasubramanian Viswanathan, 2022. "Autonomous optimization of non-aqueous Li-ion battery electrolytes via robotic experimentation and machine learning coupling," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
  17. Hong-Jie Peng & Michael T. Tang & Joakim Halldin Stenlid & Xinyan Liu & Frank Abild-Pedersen, 2022. "Trends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
  18. Chen, Zhangsen & Zhang, Gaixia & Chen, Hangrong & Prakash, Jai & Zheng, Yi & Sun, Shuhui, 2022. "Multi-metallic catalysts for the electroreduction of carbon dioxide: Recent advances and perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 155(C).
  19. Carina Yi Jing Lim & Meltem Yilmaz & Juan Manuel Arce-Ramos & Albertus D. Handoko & Wei Jie Teh & Yuangang Zheng & Zi Hui Jonathan Khoo & Ming Lin & Mark Isaacs & Teck Lip Dexter Tam & Yang Bai & Chee, 2023. "Surface charge as activity descriptors for electrochemical CO2 reduction to multi-carbon products on organic-functionalised Cu," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  20. Xin Yu Zhang & Zhen Xin Lou & Jiacheng Chen & Yuanwei Liu & Xuefeng Wu & Jia Yue Zhao & Hai Yang Yuan & Minghui Zhu & Sheng Dai & Hai Feng Wang & Chenghua Sun & Peng Fei Liu & Hua Gui Yang, 2023. "Direct OC-CHO coupling towards highly C2+ products selective electroreduction over stable Cu0/Cu2+ interface," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  21. Hemanth Somarajan Pillai & Yi Li & Shih-Han Wang & Noushin Omidvar & Qingmin Mu & Luke E. K. Achenie & Frank Abild-Pedersen & Juan Yang & Gang Wu & Hongliang Xin, 2023. "Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  22. SJ, Balaji & Babu, Suresh Chandra & Pal, Suresh, 2021. "Understanding Science and Policy Making in Agriculture: A Machine Learning Application for India," 2021 Conference, August 17-31, 2021, Virtual 315227, International Association of Agricultural Economists.
  23. Chen, Jiateng & Xu, Le & Shen, Boxiong, 2024. "Recent advances in tandem electrocatalysis of carbon dioxide: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 199(C).
  24. Kihoon Bang & Doosun Hong & Youngtae Park & Donghun Kim & Sang Soo Han & Hyuck Mo Lee, 2023. "Machine learning-enabled exploration of the electrochemical stability of real-scale metallic nanoparticles," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  25. Yizhou Dai & Huan Li & Chuanhao Wang & Weiqing Xue & Menglu Zhang & Donghao Zhao & Jing Xue & Jiawei Li & Laihao Luo & Chunxiao Liu & Xu Li & Peixin Cui & Qiu Jiang & Tingting Zheng & Songqi Gu & Yao , 2023. "Manipulating local coordination of copper single atom catalyst enables efficient CO2-to-CH4 conversion," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
  26. Xiaoyi Jiang & Le Ke & Kai Zhao & Xiaoyu Yan & Hongbo Wang & Xiaojuan Cao & Yuchen Liu & Lingjiao Li & Yifei Sun & Zhiping Wang & Dai Dang & Ning Yan, 2024. "Integrating hydrogen utilization in CO2 electrolysis with reduced energy loss," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
  27. Xiaojie She & Lingling Zhai & Yifei Wang & Pei Xiong & Molly Meng-Jung Li & Tai-Sing Wu & Man Chung Wong & Xuyun Guo & Zhihang Xu & Huaming Li & Hui Xu & Ye Zhu & Shik Chi Edman Tsang & Shu Ping Lau, 2024. "Pure-water-fed, electrocatalytic CO2 reduction to ethylene beyond 1,000 h stability at 10 A," Nature Energy, Nature, vol. 9(1), pages 81-91, January.
  28. Kaihang Yue & Yanyang Qin & Honghao Huang & Zhuoran Lv & Mingzhi Cai & Yaqiong Su & Fuqiang Huang & Ya Yan, 2024. "Stabilized Cu0 -Cu1+ dual sites in a cyanamide framework for selective CO2 electroreduction to ethylene," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
  29. Jiawei Li & Hongliang Zeng & Xue Dong & Yimin Ding & Sunpei Hu & Runhao Zhang & Yizhou Dai & Peixin Cui & Zhou Xiao & Donghao Zhao & Liujiang Zhou & Tingting Zheng & Jianping Xiao & Jie Zeng & Chuan X, 2023. "Selective CO2 electrolysis to CO using isolated antimony alloyed copper," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  30. Kangming Li & Daniel Persaud & Kamal Choudhary & Brian DeCost & Michael Greenwood & Jason Hattrick-Simpers, 2023. "Exploiting redundancy in large materials datasets for efficient machine learning with less data," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
  31. Zhang, Yuwei & Zhang, Yingjie & Zhu, Hengxi & Zhou, Pengxiang & Liu, Shuai & Lei, Xiaoli & Li, Yanhong & Li, Bin & Ning, Ping, 2022. "Life cycle assessment of pollutants and emission reduction strategies based on the energy structure of the nonferrous metal industry in China," Energy, Elsevier, vol. 261(PA).
  32. Jing Xue & Xue Dong & Chunxiao Liu & Jiawei Li & Yizhou Dai & Weiqing Xue & Laihao Luo & Yuan Ji & Xiao Zhang & Xu Li & Qiu Jiang & Tingting Zheng & Jianping Xiao & Chuan Xia, 2024. "Turning copper into an efficient and stable CO evolution catalyst beyond noble metals," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
  33. Chao Feng & Faze Wang & Zhi Liu & Mamiko Nakabayashi & Yequan Xiao & Qiugui Zeng & Jie Fu & Qianbao Wu & Chunhua Cui & Yifan Han & Naoya Shibata & Kazunari Domen & Ian D. Sharp & Yanbo Li, 2021. "A self-healing catalyst for electrocatalytic and photoelectrochemical oxygen evolution in highly alkaline conditions," Nature Communications, Nature, vol. 12(1), pages 1-10, December.
  34. Jiaqi Feng & Limin Wu & Xinning Song & Libing Zhang & Shunhan Jia & Xiaodong Ma & Xingxing Tan & Xinchen Kang & Qinggong Zhu & Xiaofu Sun & Buxing Han, 2024. "CO2 electrolysis to multi-carbon products in strong acid at ampere-current levels on La-Cu spheres with channels," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
  35. Bo Peng & Ye Wei & Yu Qin & Jiabao Dai & Yue Li & Aobo Liu & Yun Tian & Liuliu Han & Yufeng Zheng & Peng Wen, 2023. "Machine learning-enabled constrained multi-objective design of architected materials," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
  36. Luis Moles & Alain Andres & Goretti Echegaray & Fernando Boto, 2024. "Exploring Data Augmentation and Active Learning Benefits in Imbalanced Datasets," Mathematics, MDPI, vol. 12(12), pages 1-39, June.
  37. Dong Hyeon Mok & Hong Li & Guiru Zhang & Chaehyeon Lee & Kun Jiang & Seoin Back, 2023. "Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
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