All publications by categories in reversed chronological order.
+: Equal Contribution
*: Corresponding Author
_: Memeber from Ouyang group



    1. 51
      Thermodynamically Driven Synthetic Optimization for Cation-Disordered Rock Salt Cathodes Zijian Cai+, Ya-Qian Zhang+, Zhengyan Lun+, Bin Ouyang, Leighanne Gallington, Yingzhi Sun, Han-Ming Hau, Yu Chen, Mary Scott*, Gerbrand Ceder* Advanced Energy Materials, 2022 [Abs] [HTML] [PDF]
    2. 50
      Machine-learning rationalization and prediction of solid-state synthesis conditions Haoyan Huo, Christopher Bartel, Tanjin He, Amalie Trewartha, Alexander Dunn, Bin Ouyang, Anubhav Jain, Gerbrand Ceder* Chemistry of Materials, 2022 [Abs] [HTML] [PDF]
    3. 49
      Design principles for zero-strain Li-ion cathodes Xinye Zhao+, Yaosen Tian+, Zhengyan Lun, Zijian Cai, Tina Chen, Bin Ouyang*, Gerbrand Ceder* Joule, 2022 [Abs] [HTML] [PDF]
    4. 48
      Understanding the Fluorination of Disordered Rocksalt Cathodes through Rational Exploration of Synthesis Pathways Nathan Szymanski+, Yan Zeng+, Tyler Bennett, Shripad Patil, Jong Keum, Ethan Self, Jianming Bai, Zijian Cai, Raynald Giovine, Bin Ouyang, Feng Wang, Christopher Bartel, Raphaële Clément, Wei Tong, Jagjit Nanda, Gerbrand Ceder* Chemistry of Materials, 2022 [Abs] [HTML] [PDF]
    5. 47
      Equilibrium Particle Shape and Surface Chemistry of Disordered Li-excess, Mn-rich Li-ion Cathodes through First-principles Modeling Jordan Burns*, Bin Ouyang, Jianli Cheng, Matthew Horton, Martin Siron, Oxana Andriuc, Ruoxi Yang, Gerbrand Ceder, Kristin Persson* Chemistry of Materials, 2022 [Abs] [HTML] [PDF]
    6. 46
      Enhanced ionic conductivity and lack of paddle-wheel effect in pseudohalogen-substituted Li argyrodites Yingzhi Sun+, Bin Ouyang+, Yan Wang, Zhang Yaqian, Shuo Sun, Zijian Cai, Valentina Lacivita, Yinsheng Guo, Gerbrand Ceder* Matter, 2022 [Abs]
    7. 45
      Cluster Expansions of Multicomponent Ionic Materials: Formalism & Methodology Luis Barroso-Luque*, Peichen Zhong, Yang Julia, Fengyu Xie, Tina Chen, Bin Ouyang, Gerbrand Ceder* Physical Review B, 2022 [Abs] [HTML]


    1. 44
      Cation-disordered rocksalt-type high-entropy cathodes for Li-ion batteries Zhengyan Lun+, Bin Ouyang+, Deok-Hwang Kwon, Yang Ha, Emily E. Foley, Tzu-Yang Huang, Zijian Cai, Hyunchul Kim, Mahalingam Balasubramanian, Yingzhi Sun, Jianping Huang, Yaosen Tian, Haegyeom Kim, Bryan D. McCloskey, Wanli Yang, Raphaële J Clément, Huiwen Ji*, Gerbrand Ceder* Nature Materials, 2021 [Abs] [HTML] [PDF]
    2. 43
      Synthetic accessibility and stability rules of NASICONs type oxides Bin Ouyang+, Jingyang Wang+, Tanjin He, Christopher Bartel, Haoyan Huo, Yan Wang, Valentina Lacivita, Haegyeom Kim, Gerbrand Ceder* Nature Communications, 2021 [Abs] [HTML] [PDF]
    3. 42
      Computational and experimental search for potential polyanionic K-ion cathode materials Jingyang Wang+, Bin Ouyang+, Hyunchul Kim Kim, Yaosen Tian, Gerbrand Ceder*, Haegyeom Kim* Journal of Materials Chemistry A, 2021 [Abs] [HTML] [PDF]


    1. 41
      Effect of Fluorination on Lithium Transport and Short-Range Order in Disordered-Rocksalt-Type Lithium-Ion Battery Cathodes Bin Ouyang+, Nongnuch Artrith+, Zhengyan Lun+, Zinab Jadidi, Daniil A Kitchaev, Huiwen Ji, Alexander Urban, Gerbrand Ceder* Advanced Energy Materials, 2020 [Abs] [HTML] [PDF]
    2. 40
      Computational investigation of halogen-substituted Na argyrodites as solid-state superionic conductors Bin Ouyang, Yan Wang, Yingzhi Sun, Gerbrand Ceder* Chemistry of Materials, 2020 [Abs] [HTML] [PDF]
    3. 39
      Na+ redistribution by electrochemical Na+/K+ exchange in layered NaxNi2SbO6 Haegyeom Kim, Deok-Hwang Kwon, Jae Chul Kim, Bin Ouyang, Hyunchul Kim, Julia Yang, Gerbrand Ceder* Chemistry of Materials, 2020 [Abs] [HTML] [PDF]
    4. 38
      The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides Matteo Bianchini, Jingyang Wang, Raphaële J Clément, Bin Ouyang, Penghao Xiao, Daniil Kitchaev, Tan Shi, Yaqian Zhang, Yan Wang, Haegyeom Kim, Gerbrand Ceder* Nature Materials, 2020 [Abs] [HTML] [PDF]
    5. 37
      Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization Yaosen Tian+, Guobo Zeng+, Ann Rutt+, Tan Shi+, Haegyeom Kim+, Jingyang Wang, Julius Koettgen, Yingzhi Sun, Bin Ouyang, Tina Chen, Zhengyan Lun, Ziqin Rong, Kristin Persson*, Gerbrand Ceder* Chemical Reviews, 2020 [Abs] [HTML] [PDF]
    6. 36
      Effect of interstitial oxygen and nitrogen on incipient plasticity of NbTiZrHf high-entropy alloys Youxiong Ye*, Bin Ouyang, Chenze Liu, Gerd Duscher, Tai-Gang Nieh* Acta Materialia, 2020 [Abs] [HTML] [PDF]
    7. 35
      Increasing Capacity in Disordered Rocksalt Cathodes by Mg Doping Peichen Zhong+, Zijian Cai+, Yaqian Zhang, Raynald Giovine, Bin Ouyang, Guobo Zeng, Yu Chen, Raphaële Clément, Zhengyan Lun+, Gerbrand Ceder+ Chemistry of Materials, 2020 [Abs] [HTML] [PDF]


    1. 34
      Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution Zhengyan Lun+, Bin Ouyang+, Daniil A Kitchaev, Raphaële J Clément, Joseph K Papp, Mahalingam Balasubramanian, Yaosen Tian, Teng Lei, Tan Shi, Bryan D McCloskey, Gerbrand Ceder* Advanced Energy Materials, 2019 [Abs] [HTML] [PDF]
    2. 33
      Thermal Transport Engineering in Graphdiyne and Graphdiyne Nanoribbons Yingchun Wan, Shiyun Xiong, Bin Ouyang, Zhihui Niu, Yuxiang Ni, Yu Zhao, Xiaohong Zhang* ACS Omega, 2019 [Abs] [HTML] [PDF]
    3. 32
      Cluster Expansion Framework for the Sr (Ti1–x Fe x) O3–x/2 (0< x< 1) Mixed Ionic Electronic Conductor: Properties Based on Realistic Configurations Bin Ouyang, Tanmoy Chakraborty, Namhoon Kim, Nicola H Perry, Tim Mueller, Narayana R Aluru, Elif Ertekin* Chemistry of Materials, 2019 [Abs] [HTML] [PDF]
    4. 31
      Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes Zhengyan Lun+, Bin Ouyang+, Zijian Cai, Raphaële J Clément, Deok-Hwang Kwon, Jianping Huang, Joseph K Papp, Mahalingam Balasubramanian, Yaosen Tian, Bryan D McCloskey, Gerbrand Ceder* Chem, 2019 [Abs] [HTML] [PDF]
    5. 30
      Unveiling the mechanism of improved capacity retention in Pmn 2 1 Li 2 FeSiO 4 cathode by cobalt substitution Yan Zeng, Hsien-Chieh Chiu, Bin Ouyang, Jun Song, Karim Zaghib, George P Demopoulos* Journal of Materials Chemistry A, 2019 [Abs] [HTML] [PDF]
    6. 29
      Defect Engineering of Iron-Rich Orthosilicate Cathode Materials with Enhanced Lithium-Ion Intercalation Capacity and Kinetics Yan Zeng, Hsien-Chieh Chiu, Bin Ouyang, Karim Zaghib, George P Demopoulos* ACS Applied Energy Materials, 2019 [Abs] [HTML] [PDF]
    7. 28
      Control of the metal-to-insulator transition by substrate orientation in nickelates J. J. Peng, B. Ouyang, H. Y. Liu, C. S. Hao, S. S. Tang, Y. D. Gu, Y. Yan AIP Advances, 2019 [Abs] [HTML] [PDF]


    1. 27
      Phonon Transport of Zigzag/Armchair Graphene Superlattice Nanoribbons Jianjun Liu, Yang Liu, Yuhang Jing*, Yufei Gao, Junqing Zhao, Bin Ouyang International Journal of Thermophysics, 2018 [HTML] [PDF]
    2. 26
      Conjugated π electron engineering of generalized stacking fault in graphene and h-BN Bin Ouyang*, Cheng Chen, J Song* Nanotechnology, 2018 [Abs] [HTML] [PDF]
    3. 25
      Controllable Phase Stabilities in Transition Metal Dichalcogenides through Curvature Engineering: First-Principles Calculations and Continuum Prediction Bin Ouyang*, Pengfei Ou, Jun Song* Advanced Theory and Simulations, 2018 [Abs] [HTML] [PDF]
    4. 24
      Tunable phase stability and contact resistance of monolayer transition metal dichalcogenides contacts with metal Bin Ouyang*, Shiyun Xiong, Yuhang Jing* npj 2D Materials and Applications, 2018 [Abs] [HTML] [PDF]
    5. 23
      Wafer-scale synthesis of monolayer WSe2: A multi-functional photocatalyst for efficient overall pure water splitting Yongjie Wang, Songrui Zhao, Yichen Wang, David Arto Laleyan, Yuanpeng Wu, Bin Ouyang, Pengfei Ou, Jun Song, Zetian Mi* Nano Energy, 2018 [Abs] [HTML] [PDF]
    6. 22
      Enhanced thermoelectric performance of two dimensional MS2 (M= Mo, W) through phase engineering Bin Ouyang*, Shunda Chen, Yuhang Jing, Tianran Wei, Shiyun Xiong*, Davide Donadio Journal of Materiomics, 2018 [Abs] [HTML] [PDF]
    7. 21
      Atomistic Simulations on the Tensile Deformation Behaviors of Three-Dimensional Graphene (Phys. Status Solidi B 7/2018) Yang Liu, Jianjun Liu, Shaofeng Yue, Junqing Zhao, Bin Ouyang, Yuhang Jing* physica status solidi (b), 2018
    8. 20
      Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS2 Senlin Cui*, Biao Hu, Bin Ouyang, Dongdong Zhao Thermochimica Acta, 2018 [Abs] [HTML] [PDF]


    1. 19
      Microstructure evolution of Inconel 625 with 0.4 wt% boron modification during gas tungsten arc deposition Y Tian, B Ouyang, A Gontcharov, R Gauvin, P Lowden, M Brochu* Journal of Alloys and Compounds, 2017 [Abs] [HTML] [PDF]
    2. 18
      MoS 2 heterostructure with tunable phase stability: strain induced interlayer covalent bond formation Bin Ouyang*, Shiyun Xiong*, Zhi Yang, Yuhang Jing, Yongjie Wang Nanoscale, 2017 [Abs] [HTML] [PDF]


    1. 17
      Bandgap Transition of 2H Transition Metal Dichalcogenides: Predictive Tuning via Inherent Interface Coupling and Strain Bin Ouyang, Zetian Mi, Jun Song* The Journal of Physical Chemistry C, 2016 [Abs] [HTML] [PDF]
    2. 16
      Predictions of thermal expansion coefficients of rare-earth zirconate pyrochlores: A quasi-harmonic approximation based on stable phonon modes Guoqiang Lan, Bin Ouyang, Yushuai Xu, Jun Song*, Yong Jiang Journal of Applied Physics, 2016 [Abs] [HTML] [PDF]
    3. 15
      Atomistic investigation of the influence of hydrogen on dislocation nucleation during nanoindentation in Ni and Pd Xiao Zhou, Bin Ouyang, WA Curtin, Jun Song* Acta Materialia, 2016 [Abs] [HTML] [PDF]
    4. 14
      The thermoelectric performance of bulk three-dimensional graphene Zhi Yang*, Guoqiang Lan, Bin Ouyang, Li-Chun Xu, Ruiping Liu, Xuguang Liu, Jun Song Materials Chemistry and Physics, 2016 [Abs] [HTML] [PDF]
    5. 13
      Tuning Magnetic States of Planar Graphene/h-BN Monolayer Heterostructures via Interface Transition Metal-Vacancy Complexes Bin Ouyang, Jun Song* The Journal of Physical Chemistry C, 2016 [Abs] [HTML] [PDF]
    6. 12
      Phase engineering of MoS 2 through GaN/AlN substrate coupling and electron doping Bin Ouyang, Pengfei Ou, Yongjie Wang, Zetian Mi, Jun Song* Physical Chemistry Chemical Physics, 2016 [Abs] [HTML] [PDF]
    7. 11
      The tunneling magnetoresistance and spin-polarized optoelectronic properties of graphyne-based molecular magnetic tunnel junction Zhi Yang*, Bin Ouyang, Guoqiang Lan, Li-Chun Xu, Ruiping Liu, Xuguang Liu Journal of Physics D: Applied Physics, 2016 [Abs] [HTML] [PDF]


    1. 10
      First-Principles Study of Dislocation Slips in Impurity-Doped Graphene Fanchao Meng, Bin Ouyang, Jun Song* The Journal of Physical Chemistry C, 2015 [Abs] [HTML] [PDF]
    2. 9
      The role of low-lying optical phonons in lattice thermal conductance of rare-earth pyrochlores: A first-principle study Guoqiang Lan, Bin Ouyang, Jun Song* Acta Materialia, 2015 [Abs] [HTML] [PDF]
    3. 8
      Synthesis of MoO2 hierarchical peony-like microspheres without a template and their application in lithium ion batteries Shasha Tang, Bin Ouyang, Linyu Yang, Wenhai Ji* RSC Advances, 2015 [Abs] [HTML] [PDF]
    4. 7
      Probing the dynamics of the metallic-to-semiconducting structural phase transformation in MoS2 crystals Yinsheng Guo, Dezheng Sun+, Bin Ouyang+, Archana Raja, Jun Song, Tony F Heinz, Louis E Brus* Nano Lett, 2015 [Abs] [HTML] [PDF]
    5. 6
      Phase engineering of monolayer transition-metal dichalcogenide through coupled electron doping and lattice deformation Bin Ouyang, Guoqiang Lan, Yinsheng Guo, Zetian Mi, Jun Song* Applied Physics Letters, 2015 [Abs] [HTML] [PDF]


    1. 5
      Energetics and kinetics of vacancies in monolayer graphene boron nitride heterostructures Bin Ouyang, Fanchao Meng, Jun Song* 2D Materials, 2014 [Abs] [HTML] [PDF]


    1. 4
      Strain engineering of magnetic states of vacancy-decorated hexagonal boron nitride Bin Ouyang, Jun Song* Applied Physics Letters, 2013 [Abs] [HTML] [PDF]
    2. 3
      Energetics and kinetics of Li intercalation in irradiated graphene scaffolds Jun Song*, Bin Ouyang, Nikhil V Medhekar* ACS applied materials & interfaces, 2013 [Abs] [HTML] [PDF]
    3. 2
      Predicting the Size-and Shape-Dependent Cohesive Energy and Order-Disorder Transition Temperature of Co-Pt Nanoparticles by Embedded-Atom-Method Potential Chenze Liu, Weihong Qi*, Bin Ouyang, Xing Wang, Baiyun Huang Journal of nanoscience and nanotechnology, 2013 [Abs] [HTML]


    1. 1
      Size and shape dependent order–disorder phase transition of Co–Pt nanowires Bin Ouyang, Weihong Qi*, Chenze Liu, Xing Wang, Lanying Wei, Chang Q Sun Computational Materials Science, 2012 [Abs] [HTML] [PDF]