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Shuo Wang#, Qiang Bai#, Adelaide M. Nolan#, Yunsheng Liu#, Sheng Gong, Qiang Sun*, and Yifei Mo*, “Lithium Chlorides and Bromides as Promising Solid-State Chemistries for Fast Ion Conductors with Good Electrochemical Stability”, Angewandte Chemie (online)
Shan Xiong1, Xingfeng He1#, Aijie Han1, Zhantao Liu, Brian McElhenny, Adelaide M Nolan#, Shuo Chen*, Yifei Mo*, Hailong Chen*, “Computation Guided Design of LiTaSiO5, a New Lithium Ionic Conductor with Sphene Structure”, Advanced Energy Materials, 1803821 (2019) (1 co first-authors)
Juan de Pablo, Nicholas Jackson, Michael Webb, Long-Qing Chen, Joel Moore, Dane Morgan, Ryan Jacobs, Tresa Pollock, Darrel schlom, Eric Toberer, James Analytis, Ismaila Dabo, Dean DeLongchamp, Gregory Fiete, Gregory M. Grason, Geoffroy Hautier, Yifei Mo, Krishna Rajan, Evan Reed, Efrain Rodriguez, Vladan Stevanovic, Jin Suntivich, Katsuyo Thornton, and Ji-Cheng Zhao, “New Frontiers for the Materials Genome Initiative”, npj Computational Materials 5, 41 (2019)
Jian Duan, Wangyan Wu, Adelaide M. Nolan#, Tengrui Wang, Jiayun Wen, Chenchen Hu, Yifei Mo#, Wei Luo*, Yunhui Huang*, “Lithium-Graphite Paste: An Interface Compatible Anode for Solid-State Batteries”, Advanced Materials, 1807243 (2019)(Featured front cover)
Adelaide Nolan, Yizhou Zhu, Xingfeng He, Qiang Bai, Yifei Mo*, “Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries”, Joule, 2, 2016-2046 (2018) (Invited Review)
Xuetian Ma, Adelaide Nolan#, Shuo Zhang, Jianming Bai, Wenqian Xu, Lijun Wu, Yifei Mo*, Hailong Chen*, “Guiding Synthesis of Polymorphs of Materials Using Nanometric Phase Diagrams”, Journal of the American Chemical Society, 140, 17290-17296 (2018)
Kern Ho Park§, Qiang Bai#§, Dong Hyeon Kim, Dae Yang Oh, Yizhou Zhu#, Yifei Mo#*, Yoon Seok Jung*, “Design Strategies, Practical Considerations, and New Solution Processes of Sulfide Solid Electrolytes for All-Solid-State Batteries”, Advanced Energy Materials, 1800035 (2018) (Invited Review) (§ co first-authors)
Qiang Bai, Lufeng Yang, Hailong Chen*, Yifei Mo*, “Computational Studies of Electrode Materials in Sodium-Ion Batteries”, Advanced Energy Materials, 1702998 (2018)(Invited Review)
Xingfeng He, Yizhou Zhu, Alexander Epstein, Yifei Mo*, “Statistical Variances of Diffusional Properties from Ab Initio Molecular Dynamics Simulations”, NPJ Computational Materials, 4, 18 (2018)
Xiulin Fan, Enyuan Hu, Xiao Ji, Yizhou Zhu#, Fudong Han, Sooyeon Hwang, Jue Liu, Seongmin Bak, Zhaohui Ma, Tao Gao, Sz-Chian Liou, Jianming Bai, Xiao-Qing Yang, Yifei Mo#, Kang Xu, Dong Su*, and Chunsheng Wang*, “High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction”, Nature Communications, 2324 (2018)
Qiang Bai, Xingfeng He, Yizhou Zhu, Yifei Mo*, “First Principles Study of Oxyhydride H- Ion Conductors: Toward Facile Anion Conduction in Oxide-Based Materials”, ACS Applied Energy Materials, 1(4), 1626-1634 (2018)
Qiang Bai, Yizhou Zhu, Xingfeng He, Eric Wachsman, Yifei Mo*, “First Principles Hybrid Functional Study of Small Polarons in Doped SrCeO3 Perovskite: Towards Computation Design of Materials with Tailored Polaron”, Ionics 24(4), 1139-1151 (2018)
Xingfeng He, Yizhou Zhu, Yifei Mo*, “Origin of Fast Ion Diffusion in Super-Ionic Conductors” Nature communications, 8, 15893 (2017)
Yizhou Zhu, Xingfeng He, Yifei Mo*, “Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode”, Advanced Science, 1600517 (2017)
Xiaogang Han, Yunhui Gong, Kun Fu, Xingfeng He#, Gregory T. Hitz, Jiaqi Dai, Alex Pearse, Boyang Liu, Howard Wang, Gary Rubloff, Yifei Mo#, Venkataraman Thangadurai, Eric D. Wachsman, Liangbing Hu, “Negating Interfacial Impedance in Garnet-Based Solid-State Li-Metal Batteries”, Nature Materials 16, 572-579 (2017)
Kun Fu, Yunhui Gong, Shaomao Xu, Yizhou Zhu#, Yiju Li, Jiaqi Dai, Chengwei Wang, Boyang Liu, Glenn Pastel, Hua Xie, Yonggang Yao, Yifei Mo#, Eric Wachsman*, Liangbing Hu*, “Stabilizing the Garnet Solid-Electrolyte/Polysulfide Interface in Li–S Batteries”, Chemistry of Materials, 29(19), 8037-8041 (2017)
Wei Luo, Yunhui Gong, Yizhou Zhu#, Yiju Li, Yonggang Yao, Ying Zhang, Kun Fu, Glenn Pastel, Chuan-Fu Lin, Gary W. Rubloff, Yifei Mo#, Eric D. Wachsman*, Liangbing Hu*, “Reducing Interfacial Resistance between Garnet-Structured Solid-State Electrolyte and Li Metal Anode by a Germanium Layer”, Advanced Materials, 169, 1606042 (2017)
Kun Fu, Yunhui Gong, Boyang Liu, Yizhou Zhu#, Shaomao Xu, Yonggang Yao, Wei Luo, Chengwei Wang, Steven D. Lacey, Jiaqi Dai, Yanan Chen, Yifei Mo#, Eric D. Wachsman*, Liangbing Hu*, “Toward garnet electrolyte–based Li metal batteries: An ultrathin, highly effective, artificial solid-state electrolyte/metallic Li interface”, Science Advances, 3, e1601659 (2017)
Wei Luo, Yunhui Gong, Yizhou Zhu#, Kun Fu, Jiaqi Dai, Steven Lacey, Chengwei Wang, Boyang Liu, Xiaogang Han, Yifei Mo#, Eric D. Wachsman, Liangbing Hu, “Transition from Super-lithiophobicity to Super-lithiophilicity of Garnet Solid-State Electrolyte”, Journal of the American Chemical Society, 138 (37), 12258–12262 (2016)
Jing Li, Kai He, Qingping Meng, Xin Li, Yizhou Zhu#, Sooyeon Hwang, Ke Sun, Hong Gan, Yimei Zhu, Yifei Mo#, Eric Stach, Dong Su, “Kinetic Phase Evolution of Spinel Cobalt Oxide during Lithiation”, ACS Nano, 10, 9577–9585, (2016)
Kai He, Sen Zhang, Jing Li, Xiqian Yu, Qingping Meng, Yizhou Zhu#, Enyuan Hu, Ke Sun, Hongseok Yun, Xiao-Qing Yang, Yimei Zhu, Hong Gan, Yifei Mo#, Eric A. Stach, Christopher B. Murray, Dong Su, “Visualizing Nonequilibrium Lithiation of Spinel Oxide via In Situ Transmission Electron Microscopy”, Nature Communications, 7, 11441 (2016)
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