(* equal contributions, † corresponding author)


    Uncommon behavior of Li doping suppresses oxygen redox in P2-type manganese-rich sodium cathodes PDF  SI
    Biwei Xiao*, Xiang Liu*, Xi Chen, et al., Xin Li†, Guiliang Xu†, Xiaolin Li†
    Advanced Materials, 2107141 (2021)   Link   
    Balancing orbital effects and on-site Coulomb repulsion through Na modulations in NaxVO2  PDF  SI
    Xi Chen*, Hao Tang*, Yichao Wang, Xin Li
    Physical Review Materials, 5, 084402 (2021)     Link    Editor's Suggestion          arXiv:2105.02416
    Solid-electrolyte-interphase design in constrained ensemble for solid-state batteries PDF  SI
    William Fitzhugh*, Xi Chen*, Yichao Wang, Luhan Ye, Xin Li
    Energy & Environmental Science, 14, 4574 (2021)   Link   
    Machine-learning-guided prediction models of critical temperature of cuprates PDF
    Dongeon Lee, Daegun You, Dongwoo Lee, Xin Li, Sooran Kim
    The Journal of Physical Chemistry Letters, (2021) 12, 26, 6211-6217   Link   
    Li9.54Si1.74(P1-xSbx)1.44S11.7Cl0.3: A functionally stable sulfide solid electrolyte in air for solid-state batteries  PDF
    Luhan Ye*, Eva Gil-González*, Xin Li
    Electrochemistry Communications, 128 (2021) 107058   Link   
    A dynamic stability design strategy for lithium metal solid state batteries  PDF   
    Luhan Ye, Xin Li
    Nature, 593, 218 (2021)   Link   SEAS News   Harvard Gazette   IEEE Spectrum    PhysicsWorld   InsideEVs    National Geographic
    Critical assembly and test procedures driven by mechanical constriction principle for advanced performances of solid-state batteries PDF
    Xin Li
    Advanced Energy & Sustainability Research, perspective, 2, 2100003 (2021)  Link
    Constrictions Induced Metastability and Kinetic Stability for Advanced Solid-State Battery Design PDF
    Xin Li
    Encyclopedia of Energy Storage, book chapter in press  Link
    Vacancy-enabled O3 phase stabilization for manganese-rich layered sodium cathodes PDF  SI
    Biwei Xiao*, Yichao Wang*, Sha Tan*, et al., Gui-Liang Xu, Enyuan Hu, Xin Li, Xiaolin Li
    Angewandte Chemie Int. Ed., 10.1002/anie.202016334 (2021) Link



    Critical interface between inorganic solid-state electrolyte and sodium metal PDF
    Bin Tang, Prem Wicram Jaschin, Xin Li, Shou-Hang Bo, Zhen Zhou
    Materials Today, 41, 200-218 (2020) Link
    Toward higher voltage solid-state batteries by metastability and kinetic stability design PDF SI
    Luhan Ye*, William Fitzhugh*, Eva Gil-González, Yichao Wang, Yibo Su, Haoqing Su, Tianyu Qiao, Lu Ma, Hua Zhou, Enyuan Hu, Xin Li† 
     Advanced Energy Materials, 2001569 (2020)  Link
    A picture of pseudogap phase related to charge fluxes  PDF  SI
    Xi Chen*, Jiahao Dong*, Xin Li
    npj Computational Materials, 6, 103 (2020)  Link        arXiv:1912.11222 
    Anion charge and lattice volume dependent lithium ion migration in compounds with fcc anion sublattices PDF  SI
    Zhenming Xu, Xin Chen, Ronghan Chen, Xin Li, Hong Zhu
    npj Computational Materials, 6, 1-8 (2020)   Link   
    A more stable lithium anode by mechanical constriction for solid state batteries PDF  SI
    Yibo Su*, Luhan Ye*, William Fitzhugh, Yichao Wang, Eva Gil-Gonzalez, In Kim, Xin Li
    Energy & Environmental Science, 13, 908 - 916 (2020)   Link   
    A study of Cu doping effects in P2-Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 layered cathodes for Na-ion batteries PDF
    Yichao Wang*, Sooran Kim*, Jingyu Lu, Guangyuan Feng, Xin Li
    Batteries & Supercaps, 3, 376-387 (2020)   Link    Wiley at X-MOL      ChemistryViews



    Cu coated soft fabric as anode for lithium metal batteries PDF  SI
    Luhan Ye*, Peijian Feng*, Xi Chen*, Baohong Chen, Katrina Gonzalez, Jiahao Liu, In Kim, Xin Li
    Energy Storage Materials, 26, 371-377 (2020)   Link   
    Beyond expert-level performance prediction for rechargeable batteries by unsupervised machine learning PDF  SI
    Xi Chen, Luhan Ye, Yichao Wang, Xin Li†
    Advanced Intelligent Systems, 1, 1900102 (2019)  Link      Advanced Science News
    The effects of mechanical constriction on the operation of sulfide based solid-state batteries PDF
    William Fitzhugh, Luhan Ye, Xin Li†
    Journal of Materials Chemistry A: Emerging Investigators 7, 23604 - 23627 (2019) (Review) Link    
    Strain-stabilized ceramic-sulfide electrolytes PDF  SI
    William Fitzhugh*, Fan Wu*, Luhan Ye*, Haoqing Su, Xin Li
    Small, 15, 1901470 (2019) Link
    A high-throughput search for functionally stable interfaces in sulfide solid-state lithium ion conductors  PDF  SI
    William Fitzhiugh*, Fan Wu*, Luhan Ye, Wenye Deng, Pengfei Qi, Xin Li
    Advanced Energy Materials, 9, 1900817 (2019)  Link       MaterialsViews    News at MGHPCC



    Super charge separation and high voltage phase in NaxMnOPDF  SI
    Xi Chen, Yichao Wang, Kamila Wiaderek, Xiahan Sang, Olaf Borkiewicz, Karena Chapman, James LeBeau, Jeffrey Lynn, Xin Li
    Advanced Functional Materials, 28, 1805105 (2018)  Link
    Apical charge flux-modulated in-plane transport properties of cuprate superconductors PDF  SI
    Sooran Kim, Xi Chen, William Fitzhugh, Xin Li
    Physical Review Letters, 121, 157001 (2018)   Link        News at Harvard      Reply to Comment    (arXiv)
    Advanced sulfide solid electrolyte by core-shell structural design PDF  SI
    Fan Wu*, William Fitzhugh*, Luhan Ye, Jiaxin Ning, Xin Li
    Nature Communications, (9), 4037 (2018)   Link         Editor's Highlight
    Reversible flat to rippling phase transition in Fe containing layered battery electrode materials  PDF   SI
    Xi Chen, Sooyeon Hwang, Robin Chisnell, Yichao Wang, Fan Wu, Sooran Kim, Jeffrey W. Lynn, Dong Su, and Xin Li
    Advanced Functional Materials, 28, 1803896 (2018)   Link
    Modulation of ionic current limitations by doping graphite anodes  PDF
    William Fitzhugh, Xin Li
    Journal of The Electrochemical Society, 165 (10) A2233-A2238 (2018)  Link
    A versatile strategy to fabricate 3D conductive frameworks for lithium metal anodes  PDF SI
    Liya Qi, Luoran Shang, Xi Chen, Luhan Ye, Weixia Zhang, Peijian Feng, Wei Zou, Naizhen Cao, Heng-Hui Zhou, David A. Weitz, Xin Li†
    Advanced Materials Interfaces, 5, 1800807, (2018)  Link
   The interaction between Cu and Fe in P2-type NaxTMO2 cathodes for advanced battery performance  PDF
    Yangning Zhang*, Sooran Kim*, Guangyuang Feng, Yan Wang, Lei Liu, Gerbrand Ceder and Xin Li†
    Journal of The Electrochemical Society, 165 (7) A1184-A1192 (2018)  Link


  • Nancy Twu, Michael Metzger, Mahalingam Balasubramanian, Cyril Marino, Xin Li, Hailong Chen, Hubert Gasteiger, Gerbrand Ceder, Understanding the origins of higher capacities at faster rates in lithium-excess LixNi2-4x/3Sbx/3O2, Chem. Mater., 29 (6), pp 2584–2593 (2017) PDF


  • Li, X.; Wang, Y.; Wu, D.; Liu, L.; Bo, S-H.; Ceder, G. Jahn-Teller assisted Na diffusion for high performance Na ion batteries. Chem Mater., 28, 6575-6583 (2016) PDF
  • Jing Li, Kai He, Qingping Meng, Xin Li, Yizhou Zhu, Sooyeon Hwang, Ke Sun, Hong Gan, Yimei Zhu, Yifei Mo, Eric A. Stach, and Dong Su, Kinetic phase evolution of spinel cobalt oxide during lithiation. ACS Nano, 10 (10), pp 9577–9585 (2016) PDF
  • Maryam Moradi, Jae Chul Kim*, Jifa Qi*, Kang Xu, Xin Li, Gerbrand Ceder, and Angela M. Belcher, A bio-facilitated synthetic route for nano-structured complex electrode materials. Green Chemistry, vol. 18. pp. 2619-2624, (2016). PDF
  • Bo, S-H.*; Li, X.*; Toumar, A. J.; Ceder, G. Layered-to-rock-salt transformation in desodiated NaxCrO2 (x 0.4). Chem Mater., 28, 1419-1429 (2016) (*Equal contribution) PDF


  • Liu, L.; Li, X.; Bo, S-H.; Wang, Y.; Chen, H.; Twu, N.; Wu, D.; Ceder, G. High-performance P2-type Na2/3(Mn1/2Fe1/4Co1/4)O2 cathode material with superior rate capability for Na-Ion batteries. Adv. Energy Mater., 1500944 (2015) PDF 
  • Lee,J.; Seo, D-H.; Balasubramanian, M.; Twu, N.; Li, X.;Ceder, G. A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li–Ni–Ti–Mo oxides. Energy Environ. Sci., 8, 3255-3265 (2015) PDF
  • Wang, R.; Li, X.; Liu, L.; Lee, J.; Seo, D-H.; Bo, S-H.; Urban, A.; Ceder, G. A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li1.25Nb0.25Mn0.5O2Electrochem. Commun., 60, 70-73 (2015) PDF
  • Kim, J. C.; Li, X.; Kang, B.; Ceder, G. High-rate performance of a mixed olivine cathode with off-stoichiometric composition. Chem. Commun., 51, 13279-13282 (2015) PDF    
  • Twu, N.*; Li, X.*; Urban, A.; Balasubramanian, M.; Ceder, G. Designing new lithium-excess cathode materials from percolation theory: Nanohighways in LixNi2-4x/3Sbx/3O2Nano Letters15(1), 596-602 (2015) (*Equal contribution) PDF
  • Wu, D.*, Li, X.*; Xu, B.; Twu, N.; Liu, L.; and Ceder, G. NaTiO2: A layered anode material containing earth-abundant elements for sodium-ion batteries, Energy Environ. Sci., 8, 195-202 (2015) (*Equal contribution) PDF

Before 2015

  • Li, X.; Ma, X.; Su, D.; Liu, L.; Chisnell, R.; Ong, S.; Chen, H.; Toumar, A.; Idrobo, J-C; Lei, Y.; Bai, J.; Wang, F.; Lynn, J. W.; Lee, Y. S.; and Ceder, G. Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2Nature Materials, 13, 586-592 (2014) PDF 
  • Lee, J.; Urban, A.*; Li, X.*, Su, D.; Hautier, G.; Ceder, G. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries, Science, 343, 519-522 (2014) (*Equal contribution) PDF 
  • Li, X.; Wu, D.; Zhou, Y.; Liu, L.; Yang, X.; and Ceder, G. O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2:  a quaternary layered cathode compound for rechargeable Na ion batteries, Electrochemistry Communication, 49, 51-54 (2014) PDF 
  • Kim, J. C.; Li, X.; Moore, C. J.; Bo, S.; Khalifah, P. G.; Grey C. P.; and Ceder, G. Analysis of charged state stability for monoclinic LiMnBO3 cathode, Chemistry of Materials, 26, 4200-4206 (2014) PDF 
  • Lei, Y.; Li, X.; Liu, L.; and Ceder, G. Synthesis and stoichiometry of different layered sodium cobalt oxides, Chemistry of Materials, 26, 5288-5296 (2014) PDF
  • Vassilaras, P.; Ma X.; Li, X. and Ceder G. Electrochemical properties of monoclinic NaNiO2, Journal of The Electrochemical Society, 160 (2) A207-A211 (2013) PDF
  • Twu, N.; Li, X.; Moore, C.; Ceder, G. Synthesis and lithiation mechanisms of dirutile and rutile LiMnF4: Two new conversion cathode materials, Journal of The Electrochemical Society, 160, A1944-A1951 (2013) PDF 
  • Stevenson, A.J.; Li, X.; Martinez, M.A.; Anderson, J.M.; Suchy, D.L.; Kupp, E.R.; Dickey, E.C.; Mueller, K.T.; Messing, G.L. Effect of SiO2 on densification and microstructure development in Nd:YAG transparent ceramics, Journal of the American Ceramic Society, 94, 1380-1387 (2011) PDF 
  • Li, X.; Finnis, M.W., He, J.; Behera, R. K.; Phillpot, S. R.; Sinnott, S. B.; Dickey, E.C. Energetics of charged point defects in rutile TiO2 by density functional theory, Acta Materialia 57, 5882-5891 (2009) PDF
  • Li, X.; Dickey, E.C.; Stevenson, A.J.; Messing, G.L. High-resolution TEM micrograph of transparent polycrystalline yttrium aluminum oxide (YAG) shows a clean grain boundary free of amorphous phases. Journal of the American Ceramic Society, 91, Cover Photograph (2008) PDF