Zhenpeng’s GoogleScholar

Publications

2024

  1. Q. Wang†, Z. Yao†, J. Wang, H. Guo, C. Li, D. Zhou, X. Bai, H. Li, B. Li, M. Wagemaker, C. Zhao, Chemical short-range disorder in lithium oxide cathodes, Nature, 629, 341-347 (2024). (†: Equal Contribution)

  2. S. Chen, R. Shao, Z. Sun, L. Wang, J. Pan, Y. Zhang, J. Han, Z. Yao*, J. Li, Z. Wen, S. Chou, D. Peng, Q. Zhang*, Resolving the Origins of Superior Cycling Performance of Antimony Anode in Sodium-ion Batteries: A Comparison with Lithium-ion Batteries, Angewandte Chemie International Edition, 136 (11), e202320183, (2024). (*: Corresponding author)

  3. Q. Wang, D. Zhou, C. Zhao, J. Wang, H. Guo, L. Wang, Z. Yao, D. Wong, G. Schuck, X. Bai, J. Lu, M. Wagemaker, Fast-charge high-voltage layered cathodes for sodium-ion batteries, Nature Sustainability, 7, 338–347, (2024).

  4. Q. Wang, Y. Zhou, X. Wang, H. Guo, S. Gong, Z. Yao, F. Wu, J. Wang, S. Ganapathy, X. Bai, B. Li, C. Zhao, J. Janek, Designing lithium halide solid electrolytes, Nature Communications, 15, 1050, (2024).

2023

  1. R. Yu, W. Zeng, L. Zhou, G. Tendeloo, L. Mai*, Z. Yao*, J. Wu*, Layer-by-layer delithiation during lattice collapse as the origin of planar gliding and microcracking in Ni-rich cathodes, Cell Reports Physical Science, 4, 7, 101480 (2023). (*: Corresponding author)

  2. S. Guo, X. Lei, J. Wang, J. Su, Y. Wang, X. Liu, P. Ji, K. Zhao, X. Wang, L. Gu, Z. Yao*, D. Su*, Doping of group IVB elements for nickel-rich cobalt-free cathodes, Journal of Energy Chemistry, 86, 559-568 (2023). (*: Corresponding author)

  3. L. Wang, G. Liu, R. Xu, X. Wang, Z. Yao*, C. Zhan*, D. Xia*, Enabling an Intrinsically Safe and High-Energy-Density 4.5 V-Class Lithium-Ion Battery with Synergistically Incorporated Fast Ion Conductors, Advanced Energy Materials, 13, 18, 2203999 (2023). (*: Corresponding author)

  4. Q. Wang†, C. Zhao†, Z. Yao†, J. Wang†, S. G. H. Kumar, S. Ganapathy, S. Eustace, X. Bai, J. Lu, M. Wagemaker, Entropy-driven liquid electrolytes for lithium batteries, Advanced Materials, 2210677 (2023). (†: Equal Contribution)

  5. Q. Wang†, C. Zhao†, J. Wang†, Z. Yao†, S. Wang, S. G. H. Kumar, S. Ganapathy, S. Eustace, X. Bai, B. Li, M. Wagemaker, High Entropy Liquid Electrolytes for Lithium Batteries, Nature Communications, 14, 440 (2023). (†: Equal Contribution)

  6. X. Li, J. Zhang, Y. Liu, Y. Xu, K. Cui, Z. Yao, B. Fu, C. Song, W. Shang, T. Deng, P. Tao, Supercooled sugar alcohols stabilized by alkali hydroxides for long-term room-temperature phase change solar-thermal energy storage, Chemical Engineering Journal, 452, 3, 139328 (2023).

  7. H. Choubisa, J. Abed, D. Mendoza, Z. Yao, Z. Wang, A. Aspuru-Guzik, E. Sargent, Accelerated chemical space search using a quantum-inspired cluster expansion approach, Matter, 6, 605-625 (2023).

  8. L. Wang, G. Liu, R. Wang, X. Wang, L. Wang, Z. Yao*, C. Zhan*, J. Lu*, Regulating Surface Oxygen Activity by Perovskite Coating Stabilized Ultrahigh-Nickel Layered Oxide Cathodes, Advanced Materials, 2209483 (2022). (*: Corresponding author)

  9. Z. Yang, X. Huang, P. Meng, M. Jiang, Y. Wang, Z. Yao, J. Zhang, B. Sun, C. Fu, Phenoxazine Polymer-based p-type Positive Electrode for Aluminum-ion Batteries with Ultra-long Cycle Life, Angewandte Chemie International Edition, 62, e202216797 (2023).

  10. J. Li, N. Wu, J. Zhang, H.-H. Wu, K. Pan, Y. Wang, G. Liu, X. Liu, Z. Yao, Q. Zhang, Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution Reaction, Nano-Micro Letters, 15, 227 (2023).

  11. Y. Li, Z. Yao, W. Gao, W. Shang, T. Deng, J. Wu, Nanoscale Design for High Entropy Alloy Electrocatalysts, Small, 2310006 (2023).

2022

  1. Y. Pei, Q. Chen, Y. Ha, D. Su, H. Zhou, S. Li, Z. Yao, L. Ma, K. J. Sanders, C. Sheng, G. R. Goward, L. Gu, A. Yu, W. Yang, Z. Chen, Fluorinated Rocksalt Cathode with Ultra-high Active Li Content for Lithium-ion Batteries, Angewandte Chemie International Edition, 61, 47, e202212471 (2022).

  2. Z. Yao, Y. Lum, A. Johnston, L. M. Mejia-Mendoza, X. Zhou, Y. Wen, A. Aspuru-Guzik, E. Sargent, Z.W. Seh, Machine Learning for a Sustainable Energy Future, Nature Reviews Materials, 8, 201-215 (2022).

  3. M. Krenn, R. Pollice, S. Y. Guo, M. Aldeghi, A. Cervera-Lierta, P. Friederich, G. dos Passos Gomes, F. Hase, A. Jinich, A. Nigam, Z. Yao, and A. Aspuru-Guzik, On scientific understanding with artificial intelligence, Nature Reviews Physics, 4, 12, 761–769 (2022).

  4. A. J. Y. Wong, X. Zhou, Y. Lum, Z. Yao, Y. C. Chua, Y. Wen, Z. W. Seh, Battery materials discovery and smart grid management using machine learning, Batteries & Supercaps, 5, e202200309 (2022).

  5. Q. Shi, R. Qi, X. Feng, J. Wang, Y. Li, Z. Yao, X. Wang, Q. Li, X. Lu, J. Zhang, Y. Zhao, Niobium-doped layered cathode material for high-power and low-temperature sodium-ion batteries, Nature Communications, 13, 3205 (2022).

  6. A. Y.S. Eng, C. B. Soni, Y. Lum, E. Khoo, Z. Yao, S. K. Vineeth, V. Kumar, J. Lu, C. S. Johnson, C. Wolverton, and Z.W. Seh, Theory-guided experimental design in battery materials research, Science Advances, 8, 19, eabm2422 (2022).

  7. Z. Yao*, M. K.Y. Chan, C. Wolverton, Exploring the Origin of Anionic Redox Activity in the Super Li-rich Iron Oxide Based High-Energy-Density Cathode Materials, Chemistry of Materials, 34, 10, 4536–4547 (2022). (Published as part of the Virtual Special Issue “John Goodenough at 100”.)

  8. H. Zhu†, Z. Yao†, H. Zhu, Y. Huang, J. Zhang, C. C. Li, K. 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, Advanced Science, 9, 2200498 (2022). (†: Equal Contribution).

  9. M. Wang†, Z. Yao†, Q. Li, Y. Hu, J. Zhang, J. Zhang. Y. Zhao, A. Aspuru-Guzik, Fast and Extensive Intercalation Chemistry in Wadsley-Roth Phase Based High-Capacity Electrodes, Journal of Energy Chemistr, 69, 601-611 (2022) (†: Equal Contribution)

  10. L. Zhu, J. Tang, B. Li, T. Hou, Y. Zhu, J. Zhou, Z. Wang, X. Zhu, Z. Yao, X. Cui, K. Watanabe, T. Taniguchi, Y. Li, Z. V. Han, W. Zhou, Y. Huang, Z. Liu, J. C. Hone, Y. Hao, Artificial Neuron Networks Enabled Identification and Characterizations of 2D Materials and van der Waals Heterostructures, ACS Nano, 16, 2, 2721–2729 (2022).

2021

  1. 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 ConversionDissolution/Deposition Mechanism for High-Performance Zinc Batteries, Materials Today, 51, 87-95 (2021). (*: Corresponding author)

  2. 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, Editor’s Featured Article)

  3. 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)

  4. H. Wang, Z. Yao, L. Acauan, J. Kong, B. L. Wardle, Toward MXene interconnects, Matter, 4, 5, 1447-1449 (2021).

  5. Y. Xu, K. Wang, Z. Yao, J. Kang, D. Lam, D. Yang, W. Ai, C. Wolverton, M. C. Hersam, Y. Huang, W. Huang, V. P. Dravid, J. Wu, In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS2 Nanoflakes: Implications for Lithium-Ion and Sodium-Ion Batteries, Small, 17, 2100637 (2021).

  6. 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).

  7. A. S. Rosen, S. M. Iyer, D. Ray, Z. Yao, A. Aspuru-Guzik, L. Gagliardi, J. M. Notestein, R. Q. Snurr, Machine Learning the Quantum-Chemical Properties of Metal-Organic Frameworks for Accelerated Materials Discovery, Matter, 4, 1-20 (2021).

  8. 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)

  9. T. Lu, M. Li, Z. Yao, W. Lu, Accelerated Discovery of Boron-dipyrromethene Sensitizer for Solar Cells by Integrating Data Mining and First Principle, Journal of Materiomics, 7, 4, 790-801 (2021).

2020

  1. 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)

  2. 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)

  3. J. He, Z. Yao, V. I. Hegde, S. S. Naghavi, J. Shen, K. M. Bushick, C. Wolverton, Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = metals; X = S, Se, Te) and Their Potential Applications, Chemistry of Materials, 32, 19, 8229–8242 (2020).

  4. 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, 30, 52, 2005417 (2020). (†: Equal Contribution)

  5. 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)

  6. Q. Wang, Z. Yao, C. Zhao, T. Verhallen, D. P. Tabor, F. Ooms, F. Kang, A. Aspuru-Guzik, Y.-S. Hu, B. Li, Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries, Nature Communications, 11, 4188 (2020).

  7. 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)

  8. 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, 30, 17, 1910840 (2020).

2019

  1. Z. Ma†, Z. Yao†, Y. Cheng, X. Zhang, B. Guo, Y. Lyu, P. Wang, Q. Li, H. Wang, A. Nie, A. Aspuru-Guzik, All Roads Lead to Rome: Sodiation of Different-stacked SnS2, Nano Energy, 67, 104276 (2019). (†: Equal Contribution).

  2. B. Bucior, A. Rosen, M. Haranczyk, Z. Yao, M. Ziebel, O. Farha, J. Hupp, J. I. Siepmann, A. Aspuru-Guzik, and R. Q. Snurr, Identification Schemes for Metal–Organic Frameworks to Enable Rapid Search and Cheminformatics Analysis, Crystal Growth & Design, 19, 11, 6682-6697 (2019).

  3. 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).

  4. C. Zhao†, Z. Yao†, J. Wang, Y. Lu, X. Bai, A. Aspuru-Guzik, L. Chen, Y. Hu, Ti-substitution facilitating oxygen oxidation in Na2/3Mg1/3Ti1/6Mn1/2O2 cathode, Chem, 5, 11, 2913-2925 (2019). (†: Equal Contribution).

  5. 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).

  6. L. Li, F. Castro, J. S. Park, E. Lee, J.W. Freeland, Z. Yao, T. T. Fister, J. Vinson, E. L. Shirley, C. Wolverton, V. P. Dravid, M. M. Thackeray, and M. K.Y. Chan, Probing Electrochemically Induced Structural Evolution and Oxygen Redox Reactions in Layered Lithium Iridate, Chemistry of Materials, 31, 12, 4341-4352 (2019).

  7. Z. Yao, V. Hegde, A. Aspuru-Guzik, C. Wolverton, Discovery of the calcium-metal alloy anodes for reversible Ca-ion batteries, Advanced Energy Materials, 9, 9, 1802994 (2019).

  8. Y. Xu, J. Park, Z. Yao, C. Wolverton, M. Razeghi, J. Wu, V.P. Dravid, Strain-Induced Metastable Phase Stabilization in Ga2O3 Thin Films, ACS Applied Materials & Interfaces, 11, 5, 5536-5543 (2019).

  9. 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 Featured Article)

2018

  1. 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, 30, 51, 1804925 (2018).

  2. Q. Li, Y. Xu, Z. Yao, J. Kang, X. Liu, C. Wolverton, M. Hersam, J. Wu, V. Dravid. Revealing the effects of electrode crystallographic orientation on battery electrochemistry via the anisotropic lithiation and sodiation of ReS2, ACS Nano, 12, 8, 7875–7882 (2018).

  3. 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).

  4. 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, 5, eaao6754 (2018).

  5. S. Kim, V. Hedge, Z. Yao, Z. Lu, C. Wolverton, First-principles Study on Lithium Cobalt Spinel Oxides: Current and Future Prospects, ACS Applied Materials & Interfaces, 10, 16, 13479-13490 (2018).

  6. S. Hwang, Z. Yao, L. Zhang, M. Fu, K. He, L. Mai, C. Wolverton, D. Su, Multi-step Lithiation of Tin Sulfide: An Investigation using In-Situ Electron Microscopy, ACS Nano, 12, 4, 3638-3645 (2018).

  7. Q. Li†, J. Wu†, Z. Yao†, M. M. Thackeray, C. Wolverton, V. P. Dravid, Dynamic Imaging of Metastable Reaction Pathways in Lithiated Metal Oxide Electrodes, Nano Energy, 44, 15-22 (2018). (†: Equal Contribution).

  8. J. Khoury; S. Hao, C. Stoumpos, Z. Yao, C. Malliakas, U. Aydemir, T. Slade, G. Snyder, C. Wolverton, M. Kanatzidis, Quaternary Pavonites A1+xSn2-xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure, Inorganic Chemistry, 57, 4, 2260-2268 (2018).

  9. H. Liu, Q. Li, Z. Yao, L. Li, Y. Li, C. Wolverton, M. C. Hersam, J. Wu, V. P. Dravid, Origin of Fracture-resistance to Large Volume Change in Cu-substituted Co3O4 Electrode, Advanced Materials, 30, 4, 1704851 (2018).

  10. Z. Yao, Towards Understanding and Designing of Advanced Li-ion Batteries from First-Principles, Northwestern University, Dissertations Publishing, 10747006 (2018).

2017

  1. 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). (†:Equally contribution, Featured Article).

  2. Z. Yao, S. Kim, M. Aykol, Q. Li, J. Wu, J. He, C. Wolverton. Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First Principles, Chemistry of Materials, 29, 21, 9011-9022 (2017).

  3. M. Amsler, Z. Yao, C. Wolverton. Cubine, A Quasi 2-dimensional Copper-bismuth Nano Sheet, Chemistry of Materials, 29, 22, 9819-9828 (2017).

  4. K. He, Z. Yao, S. Hwang, N. Li, K. Sun, H. Gan, Y. Du, H. Zhang, C. Wolverton, D Su. Kinetically-Driven Phase Transformation during Lithiation in Copper Sulfide Nanoflakes, Nano Letters, 17, 9, 5726-5733 (2017).

  5. Q. Li†, Z. Yao†, J. Wu†, S. Mitra, S. Hao, T. S. Sahu, Y. Li, C. Wolverton, and 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).

  6. H. Bin, Z. Yao, S. Zhu, C. Zhu, H. Pan, Z. Chen, C. Wolverton, D. Zhang, A High-Performance Anode Material Based on FeMnO3/Graphene Composite, Journal of Alloys and Compounds, 695, 1223-1230 (2017).

​2016​

  1. Q. Li, H. Liu, Z. Yao, J. Cheng, T. Li, Y. Li, C. Wolverton, J. Wu, and V. P. Dravid. Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism, ACS Nano, 10, 9, 8788-8795 (2016).​

Recent Submissions and Preprints

  1. Z. Yao, A.Y. Sun, J.I. Siepmann, A. Aspuru-Guzik, A convolutional neuron network gaussian process framework for gas separation prediction of zeolites, Under review.

Talks/Presentations

  1. Z. Yao, Deep Generative Models Automated Crystalline Materials Inverse Design, Invited talk at: Fortnightly e-matminer, MIT/Singapore, Singapore, 2021.

  2. Z. Yao, Explore the Infinite Design Space for Functional Materials Discoveries, Seminar talk at: Department of Materials Science and Engineering, Southern University of Science and Technology (SUSTech), Shenzhen, China, 2021.

  3. Z. Yao, Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Modes, invited talk at: AISC spotlight session, Toronto, Ontario, 2020.

  4. Z. Yao, Computational Energy Materials Design in The Big Data Era, Seminar talk at: Department of Physics and Atmospheric Science, Dalhousie University, Nova Scotia, 2020.

  5. Z. Yao, Automated Metal-Organic Framework Discovery Platform for Clean Energy Applications, Invited talk at: Nanoporous Materials Genome Center, University of Minnesota, Minnesota, 2019.

  6. Z. Yao, A 3D Convolutional Neural Network based Variational Autoencoder for Gas Storage Prediction of Zeolites, Invited talk at: Nanoporous Materials Genome Center, University of Minnesota, Minnesota, 2019.

  7. Z. Yao, Deep chemistry in the electrochemistry energy storage field, Invited talk at: Institute of Physics, Chinese Academy of Sciences, Beijing, 2019.

  8. Z. Yao, Understanding the Interplay of Cation and Anion Redox in Li4Mn2O5 Cathode Material and Prediction of Improved Li4(Mn,M)2O5 Electrodes for Li-Ion Batteries, Oral presentation at: Materials Research Society Fall Meeting & Exhibit, Boston, 2018.

  9. Z. Yao, Exploring the Combined Anionic and Cationic Redox Reactivity in the Super Li-rich Li5FeO4 Based High-Energy-Density Cathode Materials, Oral presentation at: Materials Research Society Spring Meeting & Exhibit, Phoenix, 2018.

  10. Z. Yao, Revealing the Conversion Mechanism of Transition Metal Oxide/Sulfide Electrodes during the Electrochemical Lithiation, Oral presentation at: Materials Research Society Spring Meeting & Exhibit, Phoenix, 2018.

  11. Z. Yao, Revealing the Conversion Mechanism of Transition Metal Oxide/Sulfide Electrodes During Lithiation from First Principles, Invited talk at: Center for Electrochemical Energy Science, Argonne National Lab, Lemont, 2018.

  12. Z. Yao, Towards understanding and designing of advanced Li-ion batteries from first-principles, Invited talk at: Professor Alán Aspuru-Guzik’s group: Harvard University, Cambridge, 2018.

  13. Z. Yao, C. Wolverton, Revealing the conversion mechanism of Co3O4 during lithiation from first principles calculations, Oral presentation at: 253rd American Chemical Society National Meeting & Exposition, San Francisco, 2017.

  14. Z. Yao, Design advanced rechargeable ion batteries from first-principles, Invited talk at: Professor Alex Zunger’s group: University of Colorado, Boulder, 2017.

  15. Z. Yao, Anionic redox active materials based high-energy-density electrodes for Li-ion Batteries, Invited talk at: Professor Kristin Persson’s group: UC Berkeley, Berkeley, 2017.

  16. Z. Yao, S. Kim, M. Aykol, L. Ward, Q. Li, J. Wu, V.P. Dravid, M.M. Thackeray, and C. Wolverton, Prediction of the Lithiation Process of Transition Metal Oxides (Co3O4 and NiO) for Lithium-Ion Batteries from First Principles, Poster presentation at: 18th International Meeting on Lithium Batteries, Chicago, 2016.

  17. Z. Yao, First-principle insights into electrochemical energy storage, Invited talk at: Shanghai Jiao Tong University, Shanghai, 2016.

  18. Z. Yao, K. Michel, S. Kim, M. Aykol, Y. Zhang, C. Wolverton, Fast Li-ion transport kinetics in LiBH4-based solid-state electrolytes, Oral presentation at: 2016 TMS: Annual Meeting & Exhibition, Nashville, 2016.

Patents

  1. Z. Yao, C. Wolverton, Calcium-metal alloy anode materials for reversible calcium ion batteries, 2018, WO2020086524A1.

  2. Z. Yao, C. Wolverton, Soo Kim, Jiangang He, Vinay I. Hegde, High-energy-density cathode materials for secondary lithium ion batteries, 2017, WO2019226200A2.

  3. Z. Yao, Zhan Chun, Jun Lu, C. Wolverton, Khalil Amine, Anionic Redox Active Lithium Iron Oxide Based Cathode Materials For Rechargeable Lithium Ion Batteries, 2017, WO2019113362A1.

  4. Y. Weng, B. Zheng, W. Gu, Z. Yao, J. Fu, Solar Energy Natural Gas Complementary Ejector Distributed Power and Refrigeration and Heat Cogeneration Device, 2010, CN101871440A.

  5. Y. Weng, F. Li, Z. Yao, Y. Li, Power generation method of condensing double-working medium gas turbine circulation system, 2011, CN102505990B.

  6. Y. Weng, F. Li, Z. Yao, Y. Li, , Power generation device for condensed steam type double-working-medium gas turbine circulation system, 2011, CN102505991B.