Dr. Mo’s publication record on [Google Scholar][Research ID][ORCID], [ResearchGate]

Selected Representative Work


Publication List  
*  corresponding author; # group members in multiple-group collaboration

  1. 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)
  2. Qiang Bai, Lufeng Yang, Hailong Chen*, Yifei Mo*, “Computational Studies of Electrode Materials in Sodium-Ion Batteries”, Advanced Energy Materials, 1702998 (2018) (Invited Review)
  3. 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)
  4. 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)
  5. 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)
  6. Xingfeng He, Yizhou Zhu, Yifei Mo*, “Origin of Fast Ion Diffusion in Super-Ionic ConductorsNature communications, 8, 15893 (2017)
  7. Yizhou Zhu, Xingfeng He, Yifei Mo*, “Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode”, Advanced Science, 1600517 (2017)
  8. 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)
  9. 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)
  10. 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 (2017)
  11. 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)
  12. 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)
  13. 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)
  14. 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)
  15. Yizhou Zhu, Xingfeng He, Yifei Mo*, “First Principles Study on Electrochemical and Chemical Stability of the Solid Electrolyte-Electrode Interfaces in All-Solid-State Li-ion Batteries”, Journal of Materials Chemistry A, 4, 3253-3266 (2016)   Featured front cover
  16. Fudong Han§, Yizhou Zhu, Xingfeng He#, Yifei Mo*, Chunsheng Wang*, “Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes”, Advanced Energy Materials, 6, 1501590 (2016) (§ co first-authors)
  17. Zhi Deng, Yifei Mo, Shyue Ping Ong, “Computational Studies of Solid-State Alkali Conduction in Rechargeable Alkali-ion Batteries”, NPG Asia Materials, 8, e254 (2016)
  18. Yizhou Zhu, Xingfeng He, Yifei Mo*, “Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations”, ACS Applied Materials & Interfaces, 7, 23685-23693 (2015)
  19. Kai He, Feng Lin, Yizhou Zhu#, Xiqian Yu, Jing Li, Ruoqian Lin, Dennis Nordlund, Tsu-Chien Weng, Ryan M. Richards, Xiao-Qing Yang, Eric A. Stach, Yifei Mo*, Huolin L. Xin*, and Dong Su*, “Sodiation Kinetics of Metal Oxide Conversion Electrodes: a Comparative Study with Lithiation”, Nano Letters, 15, 5755–5763 (2015)
  20. Xingfeng He, Yifei Mo*, “Accelerated Materials Design of Na0.5Bi0.5TiO3 Oxygen Ionic Conductors Based on First Principles Calculations”, Physical Chemistry Chemical Physics, 17, 18035-18044 (2015)
  21. Yan E. Wang, William D. Richards, Shyue Ping Ong, Lincoln J. Miara, Jae Chul Kim, Yifei Mo and Gerbrand Ceder, “Design Principles for Solid-state Lithium Superionic Conductors”, Nature Materials, 14,1026–1031
  22. Yifei Mo, Shyue Ping Ong, Gerbrand Ceder, “Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations”, Chemistry of Materials, 26, 5208-5214 (2014)
  23. ShinYoung Kang, Yifei Mo, Shyue Ping Ong, Gerbrand Ceder, “Nanoscale Stabilization of Sodium Oxides: Implications for Na–O2 Batteries”, Nano Letters, 14, 1016-1020 (2014)
  24. ShinYoung Kang, Yifei Mo, Shyue Ping Ong, Gerbrand Ceder, “A facile mechanism for recharging Li2O2 in Li-O2 batteries”, Chemistry of Materials, 25, 3328-3336 (2013)
  25. Yifei Mo, Izabela Szlufarska, “Nanoscale heat transfer: Single hot contacts”, Nature Materials, 12, 9-11 (2013) News & Views
  26. Lincoln J Miara, Shyue Ping Ong, Yifei Mo, William Davidson Richards, Youngsin Park, Jae-Myung Lee, Hyo Sug Lee, Gerbrand Ceder, “Effect of Rb and Ta doping on the ionic conductivity and stability of the garnet Li7+2x-y(La3-xRbx)(Zr2-yTay)O12 (0≤x≤0.375, 0≤y≤1) superionic conductor – a first principles investigation”, Chemistry of Materials, 25, 3048-3055 (2013)
  27. Shyue Ping Ong, Yifei Mo, William Davidson Richards, Lincoln Miara, Hyo Sug Lee, Gerbrand Ceder, “Phase stability, electrochemical stability and ionic conductivity in the Li10±1MP2X12 family of superionic conductors”, Energy and Environmental Science, 6, 148-156 (2013)
  28. Yifei Mo, Shyue Ping Ong, Gerbrand Ceder, “First principles study of the Li10GeP2S12 lithium super ionic conductor material”, Chemistry of Materials, 24, 15-17 (2012)
  29. Shyue Ping Ong, Yifei Mo, Gerbrand Ceder, “Low hole polaron migration barrier in lithium peroxide”, Physical Review B, 85, 081105 (2012)
  30. Yifei Mo, Shyue Ping Ong, Gerbrand Ceder, “First-principles study of the oxygen evolution reaction of lithium peroxide in the lithium-air battery”, Physical Review B, 84, 205446 (2011)
  31. Yifei Mo, Donald Stone, Izabela Szlufarska, “Strength of ultrananocrystalline diamond controlled by friction of buried interfaces”, Journal of Physics D: Applied Physics, 44, 405401 (2011)
  32. Yifei Mo, Izabela Szlufarska, “Roughness picture of friction in dry nanoscale contacts”, Physical Review B, 81, 035405 (2010)
  33. Yifei Mo, Martin H. Müser, Izabela Szlufarska, “Origin of the isotope effect on solid friction”, Physical Review B, 80, 155438 (2009)
  34. Yifei Mo, Kevin T. Turner, Izabela Szlufarska, “Friction laws at the nanoscale”, Nature, 457, 1116-1119 (2009)
  35. Yifei Mo, Izabela Szlufarska, “A molecular dynamics simulation of high strain-rate deformation in nanocrystalline silicon carbide”, edited by R. F. Cook et al., Materials Research Society Proceedings, 1021E, Warrendale, PA, 1021-HH04-02 (2007)
  36. M. Wojdyr, Y. Mo, E. Grzanka, S. Stelmakh, S. Gierlotka, Th. Proffen, TW. Zerda, B. Palosz, I. Szlufarska, “Transition of nc-SiC powder surface into grain boundaries during sintering by molecular dynamics simulation and neutron powder diffraction”, Zeitschrift fur Krystallographie, Suppl. 26, 255 (2007)
  37. Yifei Mo, Izabela Szlufarska, “Simultaneous enhancement of toughness, ductility, and strength of nanocrystalline ceramics at high strain-rates”, Applied Physics Letters, 90, 181926 (2007)

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