C. Zhao†, Q. Wang†, Z. Yao†, B. Sánchez-Lengeling, J. Wang, X. Bai, B. Li, A. Aspuru-Guzik, M. Wagemaker, L. Chen, Y.-S. Hu, Rational design of layered sodium oxides via the “Cationic potential”, Science, 370, 6517, 708-711 (2020). (†: Equal Contribution)
Z. Yao, S. Kim, J. He, V. I. Hegde, C. Wolverton, Interplay of Cation and Anion Redox in Li4Mn2O5 Material and Prediction of Improved Li4(Mn,M)2O5 Cathodes for Li-ion Batteries. Science Advances, 4, eaao6754 (2018).
H. Zhu†, Z. Yao†, H. Zhu, Y. Huang, J. Zhang, C. C. Li, K. M. Wiaderek, Y. Ren, H. Zhou, L. Fan, Y. Chen, H. Xia, L. Gu, Q. Liu, Unblocking oxygen charge compensation for stabilized high-voltage P2-type structure in sodium-ion cathode, Nature Communications, accepted and in press, (2021). (†: Equal Contribution)
Z. Yao, V. Hegde, A. Aspuru-Guzik, C. Wolverton, Discovery of the calcium-metal alloy anodes for reversible Ca-ion batteries, Advanced Energy Materials, 1802994 (2019).
C. Zhan†, Z. Yao†, J. Lu, L. Ma, V. Maroni, L. Li, E. Lee, E. E. Alp, T. Wu, J. Wen, Y. Ren, C. S. Johnson, M. M. Thackeray, M. Chan, C. Wolverton, K. Amine, Enabling the High Capacity of Lithium-rich Anti-fluorite Lithium Iron Oxide by Simultaneous Anionic and Cationic Redox, Nature Energy, 2, 963–971 (2017). (†: Equal Contribution, Editor Featured Article)
Z. Yao*, B. Sánchez-Lengeling, N. S. Bobbitt, B. J. Bucior, S. G. H. Kumar, S. P. Collins, T. Burns, T. K. Woo, O. K. Farha, R. Q. Snurr*, A. Aspuru-Guzik*, Inverse design of nanoporous crystalline reticular materials with deep generative models, Nature Machine Intelligence, 3, 76-86 (2021). (*: Corresponding author)
C.-P. Wang, Y. Feng, H. Sun, Y. Wang, J. Yin, Z. Yao*, X.-H. Bu*, J. Zhu*, Self-Optimized MOF Electrocatalysts with Structural Stability and High Current Tolerance for Water Oxidation, ACS Catalysis, 11, 7132-7143 (2021). (*: Corresponding author)
Q. Wang, Z. Yao, C. Zhao, T. Verhallen, D. P. Tabor, F. Ooms, F. Kang, A. Aspuru-Guzik, Y.-S. Hu, M. Wagemaker, B. Li, Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries, Nature Communications, 11, 4188 (2020).
Y. Zhao, F. Jiang, H. Hong, D. Wang, Q. Li, Y. Meng, Z. Huang, Y. Guo, X. Li, A. Chen, R. Zhang, S. Zhang, J. C. Ho, Z. Yao*, W. Liu*, and C. Zhi*, Stable Bismuth-Antimony Alloy Cathode with a Conversion Dissolution/Deposition Mechanism for High-Performance Zinc Batteries, Materials Today, accepted and in press, (2021). (*: Corresponding author)
Q. Li†, Z. Yao†, E. Lee, Y. Xu, M.M. Thackeray, C. Wolverton, J. Wu, V.P. Dravid, Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage, Nature Communications, 10, 1692 (2019). (†: Equal Contribution, Editor’s Feature Article)
H. Wang†, Z. Yao†, G. S. Jung, Q. Song, M. Hempel, T. Palacios, G. Chen, M. J. Buehler, A. Aspuru-Guzik, J. Kong, Frank-van der Merwe Growth in Bilayer Graphene, Matter, 4, 1-15, (2021). (†: Equal Contribution)
C. Zhao†, Z. Yao†, Q. Wang, H. Li, J. Wang, Y. Lu, J. Cabana, Li, X. Bai, A. Aspuru-Guzik, M. Wagemaker, L. Chen, and Y.-S. Hu, Revealing High Na-Content P2-Type Layered Oxides for Advanced Sodium-Ion Cathodes, Journal of the American Chemical Society, 142, 12, 5742-5750 (2020). (†: Equal Contribution)
C. Zhao†, Z. Yao†, J. Wang, Y. Lu, X. Bai, A. Aspuru-Guzik, L. Chen, Y.-S. Hu, Ti-substitution stabilizing high-voltage plateau in Na2/3Mg1/3Ti1/6Mn1/2O2 cathode, Chem, 5, 11, 2913-2925 (2019). (†: Equal Contribution)
Z. Yao, S. Kim, K. Michel, Y. Zhang, M. Aykol, C. Wolverton, Stability and Conductivity Study of the Complex Lithium Borohydride Based Solid-state Electrolytes from First Principles, Physical Review Materials, 2, 065402-065408 (2018).
Z. Yao, S. Kim, M. Aykol, Q. Li, J. Wu, J. He, and C. Wolverton, Revealing the Conversion Mechanism of transition metal oxides during Lithiation from First Principles Calculations, Chemistry of Materials, 29, 21, 9011-9022 (2017).
S. Li†, Z. Yao†, J. Zheng, M. Fu, J. Chen, S. Hwang, A. Orlov, J. Zhang, S. Wang, Z. Chen, D. Su, Direct observation of defect-aided structural evolution in Ni-rich layered cathode during delithiation, Angewandte Chemie International Edition, 59, 2-10 (2020). (†: Equal Contribution)
X. Wang†, Z. Yao†, S. Hwang, Y. Pan, H. Dong, M. Fu, N. Li, K. Sun, H. Gan, Y. Yao, A. Aspuru-Guzik, Q. Xu, D. Su, In situ Electron Microscopy Investigation of Sodiation of Titanium Disulfide Nanoflakes, ACS nano, 13, 8, 9421-9430 (2019). (†: Equal Contribution)
Y. Cheng†, Z. Yao†, Q. Zhang, J. Chen, W. Ye, S. Zhou, H. Liu, and M.-S. Wang, In Situ Atomic-Scale Observation of Reversible Potassium Storage in Sb2S3@Carbon Nanowire Anodes, Advanced Functional Materials, 2005417 (2020). (†: Equal Contribution)
X. Wang†, Z. Yao†, S. Hwang, L. Zhang, M. Fu, S. Li, L. Mai, Q. Xu, D. Su, On the Irreversible Sodiation of Tin Disulfide, Nano Energy, 79, 105458 (2020). (†: Equal Contribution)
H. Wang, Z. Yao, L. Acauan, J. Kong, B. L. Wardle, Toward MXene interconnects, Matter, 4, 5, 1447-1449 (2021).
M. Fu†, Z. Yao†, X. Ma, H. Dong, K. Sun, S. Hwang, E. Hu, H. Gan, Y. Yao, E.A. Stach, C. Wolverton, and D. Su, Expanded Lithiation of Titanium Disulfide: Reaction Kinetics of Multi-Step Conversion Reaction, Nano Energy, 63, 103882 (2019). (†: Equal Contribution)
S. Kim, Z. Yao, J. Lim, M. C. Hersam, C. Wolverton, V. P. Dravid, Kai He, Atomic-Scale Observation of Electrochemically Reversible Phase Transformations in SnSe2 Single Crystals, Advanced Materials, 1804925 (2018). (Cover Featured Article)
Q. Li†, Z. Yao†, J. Wu†, S. Mitra, S. Hao, T. S. Sahu, Y. Li, C. Wolverton, V. P. Dravid, Intermediate Phases in Sodium Intercalation into MoS2 Nanosheets and Its Implications for Sodium-Ion Battery, Nano Energy, 38, 342-349 (2017). (†: Equal Contribution)
C. Zhao, Z. Yao, D. Zhou, L. Jiang, V. Murzin, Y. Lu, A. Aspuru-Guzik, L. Chen, and Y.-S. Hu, Constructing Na-Ion Cathodes via Alkali-Site Substitution, Advanced Functional Materials, 1910840 (2020).
R. Pollice†, G. dos Passos Gomes†, M. Aldeghi†, R. Hickman†, M. Krenn†, C. Lavigne†, M. Lindner-D'Addario†, K. A. Nigam†, C.-T., Ser†, Z. Yao†, A. Aspuru-Guzik, Data-Driven Strategies for Accelerated Materials Design, Accounts of Chemical Research, 54, 4, 849–860, (2021). (†: Equal Contribution).
作者: jia33 时间: 2022-10-31 18:44
近日,国际著名学术期刊《自然-材料综述》(Nature Reviews Materials)在线刊登了上海交通大学材料科学与工程学院姚振鹏副教授团队与合作团队的综述文章“Machine learning for a sustainable energy future”,为机器学习在能源材料、设备、管理等领域的相关推动作用提供了前瞻方向。该论文以上海交通大学为第一单位,上海交通大学材料科学与工程学院姚振鹏副教授为第一作者。
从化石能源过渡到可再生能源是一项重大的全球挑战,需要整个能源产业在材料、设备和系统层面取得进步,以实现可再生能源的高效收集、储存、转换和管理。能源领域研究人员已经开始利用机器学习技术来促成这些进步(图1)。