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Zhenpeng Yao

Towards understanding and designing of next-gen Li-ion batteries
Computational material research focusing on Energy Materials

Computational study for advanced rechargeable batteries, solid-state electrolytes, and energy devices. (Zhenpeng's Research Website)

  • 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, 2017.
  • 2. 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, 2017.
  • 3. 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).
  • 4. 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).
  • 5. 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, 2017.
  • 6. M. Amsler, Z. Yao, C. Wolverton. Cubine, A Quasi 2-dimensional Copper-bismuth Nano Sheet, Chemistry of Materials, 2017.
  • 7. 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 Letters17(9), 5726-5733 (2017).
  • 8. 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).
  • 9. 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).
Recent Submissions and Preprints
  • 1. 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 Education Cathodes for Li-ion Batteries, Under review.
  • 2. 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, Under review.
  • 3. Z. Yao, V. Hedge, M. K. Y. Chan, M. M. Thackeray, and C. Wolverton, A High- Throughput Discovery of Novel Hybrid Metal-ion-Metal-O2 Battery Chemistries Metal = Li, Na, Mg, and Al, Under review.
  • 4. Z. Yao, C. Zhan, J. Lu, L. Li, M. K. Y. Chan, M. M. Thackeray, C. Wolverton, Exploring the Combined Anionic and Cationic Redox Reactivity in the Super Li-rich Li5FeO4 Based High-Energy-Density Cathode Materials, Under review. 
  • 5. L. Li, Z. Yao, J. Zhu, K. Chen, C. Wolverton, M. C. Hersam, Comprehensive Enhancement of Nanostructured NMC Cathode Materials via Conformal Graphene Dispersion, Under review.
  • 6. L. Li, S. Kim, Z. Yao, J. Zhu, K. Chen, L. M. Guiney, X. Liu, Z. Wang, C. Wolverton, M. C. Hersam, Toward A Qualitative Understanding of Graphene in Improving Electrochemical Performance of Spinel LiMn2O4 Cathodes, Under review.
  • 7. Y. Shi, Z. Yao, S. Zhu, D. Wang, C. Wolverton, and D. Zhang, Design and Fabrication of carbon-coated porous multiple metal oxide for lithium-ion battery with high performance. Under review.
  • 8. 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 Oxygen Redox Reactions in Li2IrO3, Under review.
  • 9. S. Kim, V. Hedge, Z. Yao, Z. Lu, C. Wolverton, First-principles Study on Lithium Cobalt Spinel Oxides: Current and Future Prospects, Under review.
  • 1. Z. Yao, C. Wolverton et al., High-energy-density cathode materials and related compounds for secondary lithium ion battery, 2017.
  • 2. Y. Weng, Z. Yao et al., Solar Energy Natural Gas Complementary Ejector Distributed Power and Refrigeration and Heat Cogeneration Device, 2010, CN101871440 A.
  • 3. Y. Weng, Z. Yao et al., Power generation method of condensing double-working medium gas turbine circulation system, 2011, CN102505990 A.
  • 4. Y. Weng, Z. Yao et al., Power generation device for condensed steam type double- working-medium gas turbine circulation system, 2011, CN102505991 A.
Best Presentation Award and Travel Grant, Center for Electrochemical Energy Storage.
National Excellent Scholarship

Zhenpeng Yao

Northwestern University

Academic Position
Ph.D. Candidate

Research Assistant

Center for Electrochemical Energy Science (CEES), DOE

Contact me:

M.S., Shanghai Jiao Tong University

B.S., Huazhong University of Science and Technology