1. M. Klenk, and W. Lai, "Effect of exchange-correlation functionals on the density functional theory simulation of phase transformation of fast-ion conductors: A case study in the Li garnet oxide Li7La3Zr2O12", Comput. Mater. Sci., 134, 132 (2017)
  2. J. C. Li, M. Z. Zhu, D. L. Abernathy, X. L. Ke, D. T. Morelli, and W. Lai, “First-principles studies of atomic dynamics in tetrahedrite thermoelectrics”, APL Mater., 4, 104811 (2016)
  3. M. Klenk, and W. Lai, “Finite-size effects on the molecular dynamics simulation of fast-ion conductors”, Solid State Ionics, 289, 143 (2016)
  4. X. Lu, D. T. Morelli, Y. Wang, W. Lai, Y. Xia, and V. Ozolins, “Phase Stability, Crystal Structure, and Thermoelectric Properties of Cu12Sb4S13-xSex Solid Solutions”, Chem. Mater., 28, 1781 (2016)
  5. W. Lai, Y. Wang, D. T. Morelli, and X. Lu, “From bonding asymmetry to anharmonic rattling in Cu12Sb4S13 tetrahedrites: when lone-pair electrons are not so lonely”, Adv. Funct. Mater.,25, 3648 (2015)
  6. J. N. Weker, Y. Li, R. Shanmugam, W. Lai, and W. C. Chueh, “Tracking non-uniform mesoscale transport in LiFePO4 agglomerates during electrochemical cycling”,ChemElectroChem, 2, 1576 (2015)
  7. M. Klenk, W. Lai, “Local structure and dynamics of lithium garnet ionic conductors: tetragonal and cubic Li7La3Zr2O12”, Phys. Chem. Chem. Phys., 17, 8758 (2015)
  8. Y. Wang, W. Lai, “Phase transition in lithium garnet oxide ionic conductors Li7La3Zr2O12: The role of Ta substitution and H2O/CO2 exposure”, J. Power Sources, 275, 612 (2015)
  9. R. Shanmugam and W. Lai, “Study of Transport Properties and Interfacial Kinetics of Na2/3[Ni1/3MnxTi2/3-x]O2 (x = 0,1/3) as Electrodes for Na-Ion Batteries”, J. Electrochem. Soc., 162, A8 (2015)
  10. Y. Wang, M. Klenk, K. Page, W. Lai, “Local Structure and Dynamics of Lithium Garnet Ionic Conductors: A Model Material Li5La3Ta2O12”, Chem. Mater., 26, 5613 (2014)
  11. R. Shanmugam and W. Lai, “Na2/3Ni1/3Ti2/3O2: "Bi-functional" electrode materials for Na-ion Batteries”, ECS Electrochem. Lett., 3, A23 (2014)
  12. Y. Wang, A. Huq, and W. Lai, “Insight into lithium distribution in lithium-stuffed garnet oxides through neutron diffraction and atomistic simulation: Li7-xLa3Zr2-xTaxO12 (x=0-2) series”, Solid State Ionics, 255, 39 (2014)
  13. W. C. Chueh, F. E. Gabaly, J. D. Sugar, N. C. Bartelt, A. H. McDaniel, K. R. Fenton, K. R. Zavadil, T. Tyliszczak, W. Lai, and K. F. McCarty, “Intercalation pathway in many-particle LiFePO4 electrode revealed by nanoscale state-of-charge mapping”, Nano Lett., 13, 866 (2013)
  14. F. Ciucci and W. Lai, “Electrochemical impedance spectroscopy of phase transition materials”, Electrochim. Acta, 81, 205 (2012)
  15. Y. Wang and W. Lai, “High Ionic Conductivity Lithium Garnet Oxides of Li7−xLa3Zr2−xTaxO12 Compositions”, Electrochem. Solid-State Lett., 15, A68 (2012)
  16. W. Lai, “Electrochemical modeling of single particle intercalation battery materials with different thermodynamics”, J. Power Sources, 196, 6534 (2011)
  17. F. Ciucci, T. Carraro, W. C. Chueh, and W. Lai, “Reducing error & measurement time in impedance spectroscopy using model based optimal experimental design”, Electrochim. Acta, 56, 5416 (2011)
  18. W. Lai and F. Ciucci, “Mathematical modeling of porous battery electrodes - revisit of Newman's model”, Electrochim. Acta, 56, 4369 (2011)
  19. F. Ciucci and W. Lai, “Derivation of micro/macro lithium battery models from homogenization”, Transp. Porous Med., 88, 249 (2011)
  20. W. C. Chueh, C.-K. Yang, C. M. Garland, W. Lai, and S. M. Haile, “Unusual decrease in conductivity upon hydration in acceptor doped microcrystalline ceria”, Phys. Chem. Chem. Phys., 13, 6442 (2011)
  21. W. Lai and F. Ciucci, “Small-signal apparent diffusion impedance of intercalation battery electrodes”, J. Electrochem. Soc., 158(2), A115, (2011)
  22. W. Lai and F. Ciucci, “Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - phenomenological modeling”, Electrochim. Acta, 56, 531 (2010)
  23. W. Lai, “Fourier analysis of complex impedance (amplitude and phase) in nonlinear systems: a case study of diodes”, Electrochim. Acta, 55, 5511 (2010)
  24. W. Lai, C. K. Erdonmez, T. F. Marinis, C. K. Bjune, N. J. Dudney, F. Xu, R. Wartena, and Y.-M. Chiang, “Ultrahigh energy density microbatteries enabled by new electrode architecture and micropackaging design”, Adv. Mater., 22, E139 (2010)
  25. F. Xu, N. J. Dudney, G. M. Veith, Y. Kim, C. K. Erdonmez, W. Lai, and Y.-M. Chiang, “Properties of lithium phosphorus oxynitride (LIPON) for 3D solid-state lithium batteries”, J. Mater. Res., 25(8), 1507 (2010)
  26. W. C. Chueh, W. Lai, and S. M. Haile, “Electrochemical behavior of ceria with selected metal electrodes”, Solid State Ionics, 179, 1036 (2008)
  27. W. Lai and S. M. Haile, “Electrochemical impedance spectroscopy of mixed conductors under a chemical potential gradient: A case study of Pt|SDC|BSCF”, Phys. Chem. Chem. Phys., 10, 865 (2008)
  28. Y. Hao, Z. P. Shao, J. Mederos, W. Lai, D. G. Goodwin, and S. M. Haile, “Recent advances in single-chamber fuel-cells: Experiment and modeling”, Solid State Ionics, 177, 2013 (2006)
  29. W. Lai and S. M. Haile, “Impedance spectroscopy as a tool for chemical and electrochemical analysis of mixed conductors: A case study of ceria”, J. Am. Ceram. Soc., 88, 2979 (2005)
  30. M. A. Thundathil, W. Lai, L. Noailles, B. S. Dunn, and S. M. Haile, “High surface-area ceria aerogel”, J. Am. Ceram. Soc., 87(8), 1442 (2004)