Computational Biophysics
and Materials Science Group
-Department of Materials Science and Engineering

Publications

*corresponding author


    2024


  1. Yu Xiong, Yaqin Zhang, Yuhang Wang, Ninggui Ma, Jun Zhao, Shuang Luo, Jun Fan*. A DFT study on regulating the active center of v-Ti2XT2 MXene through surface modification for efficient nitrogen fixation.. J. Colloid Interface Sci. , 664,1-12(2024).


  2. Jia-Hua Liu, Changxiong Huang, Haikun Wu, Yunchen Long, Xinxue Tang, Hongkun Li, Junda Shen, Binbin Zhou, Yibo Zhang, Zhengtao Xu, Jun Fan*, Xiaocheng Zeng*, Jian Lu* and Yangyang LI*. From salt water to bioceramics: Mimic nature through pressure-controlled hydration and crystallization.. Sci. adv. , 10,9(2024).


  3. Xinyao Ma, Xiaohong Zhu, Tairan Wang, Ting Si and Jun Fan*. Unveiling the importance of surface ionization on desalination and ion-sieving performance of graphene oxide membranes.. Sep. Purif. Technol. , 126930(2024).


  4. Yu Xiong†, Boxun Yan†, Qing Li, Chunyi Zhi and Jun Fan*. Phase field modeling of dendrite growth mechanism of Mg and Li in electrodeposition.. J. Power Sources. , 597,234162(2024).


  5. Zhenyu Liao, Ting Si, Ji-Jung Kai, Jun Fan*. Mechanism of membrane curvature induced by SNX1: insights from molecular dynamics simulations.. J. Phys. Chem. B., 128, 9, 2144–2153(2024).


  6. Zijia Yin†, Jun Zhao†, Dong Luo, Yi-Ying Chin, Chien‐Te Chen, Huaican Chen, Wen Yin, Yu Tang, Tingting Yang, Jincan Ren, Tianyi Li, Kamila M. Wiaderek, Qingyu Kong, Jun Fan*, He Zhu*, Yang Ren, Qi Liu*. Regulating the electron distribution of metal-oxygen for enhanced oxygen stability in Li-rich layered cathodes.. Adv. Sci., Accept(2024).


  7. Ninggui Ma, Yaqin Zhang, Yuhang Wang, Jun Zhao, Bochun Liang, Yu Xiong, Shuang Luo, Changxiong Huang and Jun Fan*. Curvature effects regulate the catalytic activity of Co@N4-doped carbon nanotubes as bifunctional ORR/OER catalysts.. J. Colloid Interface Sci. , 654B,1458-1468(2024).



  8. 2023


  9. Zishuai Zhang, Wei Ling, Ninggui Ma, Jiaqi Wang, Xiaoyang Chen, Jun Fan, Miao Yu*, Yan Huang*. Ultralong Cycle Life and High Rate of Zn‖I2 Battery Enabled by MBene-Hosted I2 Cathode.. Adv. Funct. Mater. , 2310294(2023).


  10. Yaqin Zhang, Yuhang Wang, Ninggui Ma, Bochun Liang, Yu Xiong, Jun Fan*. Revealing the Adsorption Behavior of Nitrogen Reduction Reaction on Strained Ti2CO2 by a Spin-Polarized d-band Center Model.. Small , 2306840(2023).Cover Story


  11. Jiafeng Lei, Yaqin Zhang, Yanxin Yao, Yang Shi, Ka Lok Leung, Jun Fan, Yi-Chun Lu*. An active and durable molecular catalyst for aqueous polysulfide-based redox flow batteries.. Nature Energy , 8,1355-1364(2023).


  12. Ao Chen, Yaqin Zhang, Qing Li, Guojin Liang, Shuo Yang, Zhaodong Huang, Qi Yang, Hu Hong, Xinliang Li, Ze Chen, Jun Fan* and Chunyi Zhi*. Immiscible phase-separation electrolyte and interface ion transfer electrochemistry enable zinc/lithium hybrid batteries with 3.5 V-class operating voltage. . Energy Environ. Sci. 16, 4054-4064 (2023).


  13. Yaqin Zhang, Yuhang Wang, Ninggui Ma, Yao Li, Bochun Liang, Shuang Luo, Jun Fan*. Establishing an orbital-level understanding of active origins of heteroatom-coordinated single-atom catalysts: The case of N2 reduction.. J. Colloid Interface Sci., 650, 961-971(2023).


  14. Yu Xiong, Yuhang Wang, Ninggui Ma, Yaqin Zhang, Shuang Luo and Jun Fan*. First principles study of B7N5 as high capacity electrode material for K-ion batteries. . Phys. Chem. Chem. Phys. , 25,24303(2023). Selected to 2023 HOT PCCP article.


  15. Dejian Dong, Tairan Wang, Yue Sun, Jun Fan and Yichun Lu*. Hydrotropic solubilization of zinc acetates for sustainable aqueous battery electrolytes. . Nat. Sustain. , 1474–1484(2023).


  16. Ze Chen, Xinyao Ma, Yue Hou, Huilin Cui, Xinliang Li, Qi Yang, Zhaodong Huang, Donghong Wang, Binbin Dong, Jun Fan* and Chunyi Zhi*. Grafted MXenes Based Electrolytes for 5V‐Class Solid‐State Batteries. . Adv. Funct. Mater. , 33, 23, 2214539(2023).


  17. Yu Wang, Bochun Liang, Jiaxiong Zhu, Geng Li, Qing Li, Ruquan Ye, Jun Fan* and Chunyi Zhi*. Manipulating Electric Double Layer Adsorption for Stable Solid- Electrolyte Interphase in 2.3 Ah Zn-Pouch Cells. . Angew. Chem. Int. Ed. , 62, 23, e202302583(2023).


  18. Shuang Luo, Jun Zhao, Yuhang Wang, Yaqin Zhang, Yu Xiong, Ninggui Ma, Jun Fan*. First-Principles Study of FeB2 Monolayers as High-Capacity Electrode Materials for Mg-Ion Batteries. . J. Phys. Chem. C. , 127, 26, 12484–12491(2023). Invited by: Women Scientists in China VSI Virtual Special Issue.


  19. Minhyuk Park, Qing Yu, Qing Wang, Chaojie Chen, Zhibo Zhang, Ziyin Yang, Huan Chen, Qiaoshi Zeng, Yunlong Zi, Jun Fan*, and Yong Yang*. Ultrastrong yet Ductile 2D Titanium Nanomaterial for On-Skin Conformal Triboelectric Sensing.. Nano Lett. , 23, 12, 5802–5810(2023).


  20. Yuxiang Xue, Xinyao Ma, Xue Feng, Sam Roberts, Guangyu Zhu, Yi Huang, Xianfeng Fan, Jun Fan*, Xianfeng Chen*. Temperature-Derived Purification of Gold Nano-Bipyramids for Colorimetric Detection of Tannic Acid. . ACS Appl. Nano Mater. ,6, 13, 11572–11580(2023).


  21. Shaoce Zhang, Dong Chen, Ying Guo, Rong Zhang, Yuwei Zhao, Zhaodong Huang, Jun Fan, Johnny C. Ho*, Chunyi Zhi*. Piezoelectricity regulated ohmic contact in M/BaTiO3 (M = Ru, Pd, Pt) for charge collision and hydrogen free radical production in ammonia electrosynthesis.. Mater. Today , 66, 17-25(2023).


  22. Ting Si, Xinyao Ma, Tairan Wang, SaiTak Chu* and Jun Fan*. Improvement of desalination performance by adjusting the arrangement of lamellar MXene membrane.. Sep. Purif. Technol. , 322, 124265(2023).


  23. Na Li, Yulu Zhan, Haishun Wu, Jun Fan* and Jianfeng Ji*. Covalent surface modification of bifunctional two-dimensional metal carbide MXenes as sulfur hosts for sodium–sulfur batteries. Nanoscale , 14, 17027, (2023).


  24. Na Li, Yulu Zhan, Haishun Wu, Jun Fan* and Jianfeng Ji*. Synergistically boosting the anchoring effect and catalytic activity of MXenes as bifunctional electrocatalysts for sodium–sulfur batteries by single-atom catalyst engineering. Nanoscale , 15, 2747, (2023).


  25. Mangwei Cui, Ninggui Ma, Hao Lei, Youfa Liu, Wei Ling, Sheng Chen, Jiaqi Wang, Hongfei Li, Zhaohui Li, Jun Fan* and Yan Huang*. I3-/I- Redox Reaction-mediated Organic Zinc-Air Batteries with Accelerated Kinetics and Long Shelf Lives. Angew Chem Int Ed Engl , e202303845 (2023).


  26. Bo Li, Jun Zhao, Yishang Wu, Guobin Zhang, Haikun Wu, Fucong Lyu, Jun He, Jun Fan*, Jian Lu* and Yang Yang Li*. Identifying Fe as OER Active Sites and Ultralow-Cost Bifunctional Electrocatalysts for Overall Water Splitting. Small, 628, 157225 (2023).


  27. Ninggui Ma, Yaqin Zhang, Yuhang Wang, Changxiong Huang, Jun Zhao, Bochun Liang, Jun Fan*. Machine learning-assisted exploration of the intrinsic factors affecting the catalytic activity of ORR/OER bifunctional catalysts. Applied Surface Sciences, 628, 157225 (2023).


  28. Yu Xiong, Ninggui Ma, Yuhang Wang, Tairan Wang, Shuang Luo and Jun Fan*. B5N3 as a potential high-capacity anode material for calcium ion batteries. Phys. Chem. Chem. Phys.25, 12854 (2023).


  29. Yuhang Wang, Ninggui Ma, Yaqin Zhang, Bochun Liang, and Jun Fan*. Cu4@C2N for effective electrochemical CO2 reduction and intermediates dependent adsorption behaviours: A computational study. Applied Surface Sciences, 626, 157126 (2023).


  30. Guojin Liang, Bochun Liang, Ao Chen, Jiaxiong Zhu, Qing Li, Zhaodong Huang, Xinliang Li, Ying Wang*, Xiaoqi Wang, Bo Xiong, Xu Jin, Shengchi Bai, Jun Fan*, and Chunyi Zhi*. Development of rechargeable high-energy hybrid zinc-iodine aqueous batteries exploiting reversible chlorine-based redox reaction. Nat. Commun., 14, 1856 (2023).


  31. Yu Wang, Tairan Wang, Shuyu Bu, Jiaxiong Zhu, Yanbo Wang, Rong Zhang, Hu Hong, Wenjun Zhang, Jun Fan*, and Chunyi Zhi *. Sulfolane-containing aqueous electrolyte solutions for producing efficient ampere-hour-level zinc metal battery pouch cells. Nat. Commun., 14, 1828 (2023). Editors’ Highlights


  32. Xinyao Ma, Xiaohong Zhu, Changxiong Huang and Jun Fan*. Exploring the potential of MXene nanoslit for water desalination through molecular dynamics simulations. Desalination, 15, 556 (2023).


  33. Yaqin Zhang, Ninggui Ma, Yuhang Wang, Bochun Liang and Jun Fan*. Theoretical design toward highly efficient single-atom catalysts for nitrogen reduction by regulating the “acceptance-donation” mechanism. Applied Surface Sciences, 623, 156827 (2023).


  34. Xiaohong Zhu, Changxiong Huang, Na Li, Xinyao Ma, Zhen Li* and Jun Fan*. Distinct Roles of Graphene and Graphene Oxide Nanosheets in Regulating Phospholipid Flip-Flop. Journal of Colloid & Interface Science, 637, 112-122 (2023).


  35. Zhenyu Liao, Xinyao Ma, Ji-Jung Kai and Jun Fan*. Molecular mechanisms of integrin αvβ8 activation regulated by graphene, boron nitride and black phosphorus nanosheets. Colloids and Surfaces B: Biointerfaces, 222, 113139 (2023).


  36. Changxiong Huang, Zhen Li, XiaoHong Zhu, Xinyao Ma, Na Li and Jun Fan*. Two Detection Modes of Nanoslit Sensing based on Planar Heterostructure of Graphene/Hexagonal Boron Nitride. ACS Nano, 17(4) 3301–3312 (2023), selected as supplementary journal cover.


  37. Yue Sun, Yuhang Wang, Liwei Jiang, Dejian Dong, Wanwan Wang, Jun Fan and Yi-Chun Lu*. Non-nucleophilic electrolyte with non-fluorinated hybrid solvents for long-life magnesium metal batteries. Energy & Environmental Science, 16, 265-274 (2023).


  38. Yuhang Wang, Ninggui Ma, Yaqin Zhang, Bochun Liang, Jun Zhao and Jun Fan*. S-functionalized V2B as promising anode materials for rechargeable lithium ion batteries. Phys. Chem. Chem. Phys., 25, 4015-4024 (2023).


  39. 2022


  40. Xixi Zhang, Xiaoke Wang, Guangmeng Qu, Tairan Wang, Xiliang Zhao, Jun Fan, Cuiping Han, Xijin Xu*, Chunyi Zhi and Hongfei Li*. Reversible solid-liquid conversion enabled by self-capture effect for stable non-flow zinc-bromine batteries. Green Energy & Environment, Accepted (2022).


  41. Shengmei Chen, Tairan Wang, Longtao Ma, Binbin Zhou, Jianghua Wu,Daming Zhu, YangYang Li,Jun Fan* and Chunyi Zhi*. Aqueous rechargeable zinc air batteries operated at −110°C. Chem, 9, 1–14 (2022).


  42. Ze Chen, Tairan Wang, Yue Hou, Yanbo Wang, Zhaodong Huang, Huilin Cui, Jun Fan*, Zengxia Pei* and Chunyi Zhi*. Polymeric Single Ion Conductors with Enhanced Side Chains Motion for High-performance Solid Zinc Ion Batteries. Adv. Mater., 34, 2207682 (2022).


  43. Weitong Lin, Yiran Li, Sytze de Graaf, Gang Wang, Junhao Lin, Hui Zhang, Shijun Zhao, Da Chen, Shaofei Liu, Jun Fan, Bart Kooi, Yang Lu, Tao Yang, Chin-Hua Yang, Chain Liu and Jijung Kai. Creating two-dimensional solid helium via diamond lattice confinement. Nat. Commun., 13, 5990 (2022).


  44. Jun Zhao, Ninggui Ma, Tairan Wang, Na Li, Yuhang Wang and Jun Fan*. Theoretical designing high-performance halogen anion batteries with MXene electrodes: influence of functional groups, metals, and anions. J. Mater. Chem. A, 10, 21611-21621 (2022),Collection on Hydrogen Energy Technologies.


  45. Qi Zhu, Yang Guo, Bing Chen, Yanze Wang, Hao Suo, Xin Zhang, Jun Fan and Feng Wang. Doping-Mediated Size and Structure Tailoring of CaS Nanocrystals. Chem. Mater., 34, 7799–7806(2022).


  46. Yaqin Zhang, Ninggui Ma, Tairan Wang and Jun Fan*. Work function regulation of surface-engineered Ti2CT2 MXenes for efficient electrochemical nitrogen reduction reaction. Nanoscale, 14, 12610-12619(2022).Cover Story


  47. Changyu Leng, Yuliya V. Fedoseeva, Zongbin Zhao, Boxun Yan, Alexander V. Okotrub, Xuzhen Wang, Jun Fan and Jieshan Qiu. Rational-design heteroatom-doped cathode and ion modulation layer modified Zn anode for ultrafast zinc-ion hybrid capacitors with simultaneous high power and energy densities. J. Power Sources, 536: 231484(2022).


  48. Bochun Liang, Ninggui Ma, Yuhang Wang, Tairan Wang and Jun Fan*. N-functionalized Ti2B MBene as high-performance anode materials for sodium-ion batteries: a DFT study. Applied Surface Sciences, 599, 153927 (2022).


  49. Huilin Cui, Tairan Wang, Zhaodong Huang, Guojin Liang, Ze Chen, Ao Chen, Donghong Wang, Qi Yang, Hu Hong, Jun Fan* and Chunyi Zhi*. High-Voltage Organi.c Cathodes for Zinc-Ion Batteries through Electron Cloud and Solvation Structure Regulation. Angew. Chem. Int. Edt., e202203453(2022).


  50. Yuhang Wang, Ninggui Ma, Bochun Liang and Jun Fan*. Exploring the potential of Ti2BT2 (T = F, Cl, Br, I, O, S, Se and Te) monolayers as anode materials for lithium and sodium ion batteries. Appl. Surf. Sci., 596, 153619 (2022) .


  51. Ninggui Ma, Yuhang Wang, Yaqin Zhang, Bochun Liang, Jun Zhao and Jun Fan*. First-principles screening of Pt doped Ti2CNL (N=O, S and Se, L=F, Cl, Br and I) as high-performance catalysts for ORR/OER. Appl. Surf. Sci., 596, 153574 (2022) .


  52. Xinliang Li, Shixun Wang, Tairan Wang, Zonghui Duan, Zhaodong Huang, Guojin Liang, Jun Fan, Cheng Yang, Andrey L. Rogach and Chunyi Zhi. Bis-ammonium salts with strong chemisorption to halide ions for fast and durable aqueous redox Zn ion batteries. Nano Energy, 98: 107278 (2022).


  53. Qing Li, Donghong Wang, Boxun Yan, Yuwei Zhao, Jun Fan and Chunyi Zhi. Dendrite issues for Zn anodes in a flexible cell configuration. Angew. Chem. Int. Edt., e202202780(2022).

  54. Ninggui Ma, Na Li, Yaqin Zhang, Tairan Wang, Jun Zhao and Jun Fan*. Strain adjustment Pt-doped Ti2CO2 as an efficient bifunctional catalyst for oxygen reduction reactions and oxygen evolution reactions by first-principles. Appl. Surf. Sci., 590, 153149 (2022) .


  55. Zhen Li, Xiaohong Zhu, Jiawei Li, Jie Zhong, Jun Zhang* and Jun Fan*. Molecular Insights into the Resistance of Phospholipid Heads to Membrane Penetration of Graphene Nanosheets. Nanoscale, 14, 5384 (2022).


  56. Changxiong Huang, Xiaohong Zhu, Zhen Li, Xinyao Ma, Na Li, Jun Luo and Jun Fan*. Molecular insights into geometric and electrophoretic effects on DNA translocation speed through graphene nanoslit sensor. Carbon, 191: 415-423 (2022).


  57. Guojin Liang, Jiaxiong Zhu, Boxun Yan, Qing Li, Ao Chen, Ze Chen, Xiaoqi Wang, Bo Xiong, Jun Fan, Jin Xu and Chunyi Zhi. Gradient fluorinated alloy to enable highly reversible Zn-metal anode chemistry. Energ. Environ. Sci., 15:1086-1096 (2022).


  58. Xinyao Ma, Xiaohong Zhu, Changxiong Huang and Jun Fan*. Revealing the effects of terminal groups of MXene on the water desalination performance. J. Membr. Sci., 647, 120334 (2022).


  59. Mangwei Cui, Boxun Yan, Funian Mo, Xiaoqi Wang, Yan Huang, Jun Fan, Chunyi Zhi and Hongfei Li. In-situ grown porous protective layers with high binding strength for stable Zn anodes. Chem. Eng. J, 434, 134668 (2022).


  60. Ninggui Ma, Na Li, Tairan Wang, Xinyao Ma and Jun Fan*. Strain engineering in oxygen reduction reaction and oxygen evolution reaction catalyzed by Pt-doped Ti2CF2. J. Mater. Chem. A, 10: 1390-1401 (2022), Collection on Hydrogen Energy Technologies.


  61. Bocheng Qiu, Yuefeng Zhang, Xuyun Guo, Yingxin Ma, Mengmeng Du, Jun Fan, Ye Zhu, Zhiyuan Zeng and Yang Chai. Nitrogen-induced interfacial electronic structure of NiS2/CoS2 with optimized water and hydrogen binding abilities for efficient alkaline hydrogen evolution electrocatalysis. J. Mater. Chem. A, 10: 719-725 (2022).


  62. Yu Wang, Tairan Wang, Dejian Dong, Jing Xie, Yuepeng Guan, Yaqin Huang, Jun Fan and Yi-Chun Lu. Enabling high-energy-density aqueous batteries with hydrogen bond-anchored electrolytes. Matter, 1: 162-179 (2022).


  63. Qing Li, Boxun Yan, Donghong Wang, Qi Yang , Zhaodong Huang, Jun Fan, Ming Dai, Wenshuai Chen and Chunyi Zhi. Mechanistic Study of Interfacial Modification for Stable Zn Anode Based on a Thin Separator. Small, 18: 2201045 (2022).


  64. Yuwei Zhao, Yue Lu, Huiping Li, Yongbin Zhu, You Meng, Na Li, Donghong Wang, Feng Jiang, Funian Mo, Changbai Long, Ying Guo, Xinliang Li, Zhaodong Huang, Qing Li, Johnny C. Ho, Jun Fan, Manling Sui, Furong Chen, Wenguang Zhu, Weishu Liu and Chunyi Zhi. Few-layer bismuth selenide cathode for low-temperature quasi-solid-state aqueous zinc metal batteries. Nat. Commun., 13, 752 (2022).


  65. Ninggui Ma, Tairan Wang, Na Li, Yiran Li* and Jun Fan*. New phases of MBenes M2B (M=Sc, Ti, and V) as high-capacity electrode materials for rechargeable magnesium ion batteries. Appl. Surf. Sci., 571, 151275 (2022) .


  66. Zhaodong Huang, Tairan Wang, Xinliang Li, Huilin Cui, Guojin Liang, Qi Yang, Ze Chen, Ao Chen, Ying Guo, Jun Fan* and Chunyi Zhi*. Small-Dipole-Molecule-Containing Electrolytes for High-Voltage Aqueous Rechargeable Batteries. Adv. Mater., 34: 2106180 (2022).


  67. Ying Guo, Shaoce Zhang, Rong Zhang, Donghong Wang, Daming Zhu, Xuewan Wang, Diwen Xiao, Na Li, Yuwei Zhao, Zhaodong Huang, Wenjie Xu, Shuangming Chen, Li Song, Jun Fan, Qing Chen and Chunyi Zhi. Electrochemical Nitrate Production via Nitrogen Oxidation with Atomically Dispersed Fe on NDoped Carbon Nanosheets. ACS Nano, 16(1): 2993-3005 (2022).


  68. 2021


  69. Xinliang Li, Xinyao Ma, Yue Hou, Zhenhua Zhang, Yue Lu, Zhaodong Huang, Guojin Liang, Mina Li, Qi Yang, Jiale Ma, Na Li, Binbin Dong, Qing Huang, Furong Chen, Jun Fan* and Chunyi Zhi*. Intrinsic voltage plateau of a Nb2CTx MXene cathode in an aqueous electrolyte induced by high-voltage scanning. Joule, 11: 2993-3005 (2021).


  70. Ying Guo,Jinxing Gu,Rong Zhang,Shaoce Zhang,Zhen Li,Yuwei Zhao,Zhaodong Huang,Jun Fan,Zhongfang Chen, and Chunyi Zhi. Molecular Crowding Effect in Aqueous Electrolytes to Suppress Hydrogen Reduction Reaction and Enhance Electrochemical Nitrogen Reduction. Advanced Energy Materials, 11, 2101699 (2021).


  71. Zhaodong Huang,Yue Hou, Tairan Wang, Yuwei Zhao, Guojin Liang , Xinliang Li , Ying Guo , Qi Yang, Ze Chen, Qing Li, Longtao Ma, Jun Fan* and Chunyi Zhi*. Manipulating anion intercalation enables a high-voltage aqueous dual ion battery. Nat. Commun., 12, 3106 (2021).


  72. Na Li, Yiran Li and Jun Fan*. Prediction of chemically ordered dual transition metal carbides (MXenes) as high-capacity anode materials for Na-ion batteries. Nanoscale, 13: 7234-7243 (2021).


  73. Na Li and Jun Fan*. Computational insights into modulating the performance of MXene based electrode materials for rechargeable batteries. Nanotechnology, 32:252001 (2021), Topical Review.


  74. Ze Chen, Funian Mo, Tairan Wang, Qi Yang, Zhaodong Huang, Donghong Wang , Guojin Liang , Qing Li , Ao Chen , Ying Guo , Xinliang Li, Jun Fan and Chunyi Zhi. Zinc/Selenium Conversion Battery: A System Highly Compatible to both Organic and Aqueous Electrolytes. Energ. Environ. Sci., 14:2441-2450 (2021).


  75. Xinyao Ma, Xiaohong Zhu, Changxiong Huang, Zhen Li and Jun Fan*. Molecular Mechanisms Underlying the Role of Puckered Surface in the Biocompatibility of Black Phosphorus. Nanoscale, 13: 3790-3799 (2021).


  76. Xinliang Li, Na Li, Zhaodong Huang, Ze Chen, Yuwei Zhao, Guojin Liang, Qi Yang, Mina Li, Qing Huang, Binbin Dong, Jun Fan* and Chunyi Zhi*. Confining Aqueous Zn–Br Halide Redox Chemistry by Ti3C2TX MXene. ACS Nano, 15: 1718-1726 (2021).


  77. Xinliang Li, Na Li, Zhaodong Huang, Ze Chen, Guojin Liang, Qi Yang, Mina Li, Yuwei Zhao, Longtao Ma, Binbin Dong, Qing Huang, Jun Fan* and Chunyi Zhi*. Enhanced Redox Kinetics and Duration of Aqueous I2/I− Conversion Chemistry by MXene Confinement. Adv. Mater., 15: 2006897 (2021).


  78. Changxiong Huang, Xiaohong Zhu, Na Li, Xinyao Ma, Zhen Li* and Jun Fan*. Simultaneous Sensing of Force and Current Signals to Recognize Proteinogenic Amino Acids in a Single-molecule Level. J. Phys. Chem. Lett., 12: 793-799 (2021).


  79. 2020


  80. Na Li, Yiran Li, Xiaohong Zhu, Changxiong Huang and Jun Fan*. Theoretical investigation of the intercalation mechanism of VS2/MXene heterostructures as anode materials for metal-ion batteries. Appl. Surf. Sci., 543: 148772 (2020).


  81. Tairan Wang, Na Li, Yiran Li*, Ji-Jung Kai and Jun Fan*. M-site vacancy-mediated adsorption and diffusion of Sodium on Ti2CO2 MXene. J. Phys. Chem. C, 125: 82-90 (2021).


  82. Xiaohong Zhu, Na Li, Changxiong Huang, Zhen Li* and Jun Fan*. Membrane Perturbation and Lipid Flip-Flop Mediated by Graphene Nanosheet. J. Phys. Chem. B, 124: 10632-10640 (2020), Supplementary Cover Art Story.


  83. Zhaodong Huang, Tairan Wang, Hao Song Xinliang Li, Guojin Liang, Donghong Wang, Qi Yang, Ze Chen, Longtao Ma, Zhuoxin Liu, Biao Gao*, Jun Fan* and Chunyi Zhi*. Effects of anion carriers on capacitance and self-discharge behaviors of zinc ion capacitor. Angew. Chem. Int. Edt., 60: 1011-1021(2021).

  84. Ze Chen, Qi Yang, Funian Mo, Na Li, Guojing Liang, Xinliang Li, Zhaodong Huang, Donghong Wang, Weichun Huang, Jun Fan and Chunyi Zhi. Aqueous Zinc–Tellurium Batteries with Ultraflat Discharge Plateau and High Volumetric Capacity. Adv. Mater., 32: 2001469 (2020).

  85. Qi Yang, Ying Guo, Jinxing Gu, Na Li, Changda Wang, Zhuoxin Liu, Xinliang Li, Zhaodong Huang, Shiqiang Wei, Suying Xu, Li Song, Jun Fan*, Zhongfang Chen*, Jieshan Qiu* and Chunyi Zhi*. Scalable synthesis of 2D hydrogen-substituted graphdiyne on Zn substrate for high-yield N2 fixation. Nano Energy, 78: 105283 (2020).


  86. Jiuwei Lu, Kevin Chan, Leiye Yu, Jun Fan*, Yujia Zhai and Fei Sun*. Molecular mechanism of mitochondrial phosphatidate transfer by Ups1/Mdm35. Commun. Biol., 3: 1-14, (2020).


  87. Ying Guo, Tairan Wang, Qi Yang, Xinliang Li, Hongfei Li, Yukun Wang, Tianpeng Jiao, Zhaodong Huang, Binbin Dong, Wenjun Zhang, Jun Fan and Chunyi Zhi. Highly Efficient Electrochemical Reduction of Nitrogen to Ammonia on Surface Termination Modified Ti3C2Tx MXene Nanosheets. ACS Nano, 14: 9089–9097 (2020).


  88. Na Li, Yiran Li, Xiaohong Zhu, Changxiong Huang, Ji Jung Kai and Jun Fan*. Theoretical Investigation of the Structure-Property Correlation of MXenes as Anode Materials for Alkali Metal Ions Batteries. J. Phys. Chem. C, 124: 14978–14986 (2020).


  89. Qi Yang, Ying Guo, Boxun Yan, Changda Wang, Zhuoxin Liu, Zhaodong Huang, Yunkun Wang, Yiran Li, Hongfei Li, Song Li, Jun Fan* and Chunyi Zhi*. Hydrogen-Substituted Graphdiyne Ion Tunnels Directing Concentration Redistribution for Commercial-Grade Dendrite-Free Zinc Anodes. Adv. Mater., 32: 2001755 (2020).


  90. Zengxia Pei, Qiangqiang Meng, Wei Li, Jun Fan, Yuan Chen and Chunyi Zhi. Toward efficient and high rate sodium-ion storage : A new insight from dopant-defect interplay in textured carbon anode materials. Energy Storage Materials, 28: 55-63 (2020).


  91. Longtao Ma, Shengmei Chen, Na Li, Zhuoxin Liu, Zijie Tang, Juan Antonio Zapien, Shimou Chen, Jun Fan and Chunyi Zhi. Hydrogen-Free and Dendrite-Free All-Solid-State Zn-Ion Batteries. Adv. Mater., 32: 1908121 (2020).


  92. Yonghui Zhang, Yujia Zhou, Zhen Li, Huoji Chen, Li Zhang* and Jun Fan*. Computational Investigation of Geometrical Effect in 2D Boron Nitride Nanopores for DNA Detection. Nanoscale, 12: 10026-10034 (2020).


  93. Yiran Li, Na Li, Shijun Zhao, Jun Fan* and Ji Jung Kai*. Strain-Tunable Electronic Properties and Lithium Storage of 2D Transition Metal Carbide (MXene) Ti2CO2 as Flexible Electrodes. Journal of Mater. Chem. A, 8: 760-769 (2020).


  94. 2019


  95. Longtao Ma, Na Li, Changbai Long, Binbin Dong, Daliang Fang, Zhuoxin Liu, Yuwei Zhao, Xinliang Li, Jun Fan, Shimou Chen, Suojiang Zhang and Chunyi Zhi . Achieving Both High Voltage and High Capacity in Aqueous Zinc‐Ion Battery for Record High Energy Density. Adv. Funct. Mater., 29: 1906142 (2019).


  96. Qi Yang, Guojin Liang, Ying Guo, Zhuoxin Liu, Boxun Yan, Donghong Wang, Zhaodong Huang, Xinliang Li, Jun Fan* and Chunyi Zhi*. Do Zinc Dendrites Exist in Neutral Zinc Batteries: A Developed Electrohealing Strategy to In Situ Rescue In‐Service Batteries. Adv. Mater., 31: 1903778 (2019).


  97. Dengfeng Li, Xinhong Liu, Yizhi Liang, Jun Fan and Lidai Wang. A low-Cost Portable Nanophotonic Sensor Based on a Smartphone A system readily available for many applications. IEEE Nanotechnology Magazine, 13(3): 6 (2019).

  98. Chun Chan, Xiaoyun Pang, Yan Zhang, Tongxin Niu, Shengjiang Yang, Daohui Zhao, Jian Li, Lanyuan Lu, Victor W. Hsu, Jian Zhou*, Fei Sun*, and Jun Fan*. ACAP1 Assembles into an Unusual Protein Lattice for Membrane Deformation through Multiple Stages. Plos Comput. Biol., 15(7): e1007081 (2019).


  99. Seung-Yeol Park, Jia-Shu Yang, Zhen Li, Xiaohong Zhu, Maria Ericsson, Andrew J. Morris, Jun Fan, and Victor W. Hsu. The Late Stage of COPI Vesicle Fission Requires Shorter Forms of Phosphatidic Acid and diacylglycerol. Nat.Comm., 10: 3409 (2019).


  100. Yonghui Zhang, Chun Chan, Zhen Li, Jiale Ma, Qiangqiang Meng, Chunyi Zhi, Hongyan Sun, and Jun Fan*. Nanotoxicity of Boron Nitride Nanosheet to Bacterial Membranes. Langmuir, 18: 6179 (2019), Selected Supplementary Cover Story.


  101. Na Li, Qiangqiang Meng, Xiaohong Zhu, Zhen Li, Jiale Ma, Changxiong Huang, Jun Song and Jun Fan*. Lattice Constants-dependent Anchoring Effect of MXenes for Lithium-sulfur (Li-S) Batteries: A DFT Study. Nanoscale, 11: 8485 (2019).


  102. Funian Mo, Guojin Liang, Qiangqiang Meng, Zhuoxin Liu, Hongfei Li, Jun Fan*, and Chunyi Zhi*. A Flexible Rechargeable Aqueous Zinc Manganese-dioxide Battery Working at -20 °C. Energy & Environmental Science, 12: 706 (2019).


  103. Zhen Li, Yonghui Zhang, Jiale Ma, Qiangqiang Meng, and Jun Fan*. Modelling Interactions between Liposomes and Hydrophobic Nanosheets. Small, 15: 1804992 (2019). Inside Back Cover Story




  104. 2018


  105. Jun Fan, Chun Chan, Elyshia L. McNamara, Kristen J. Nowak, Hiroyuki Iwamoto, and Julien Ochala. Molecular Consequences of the Myopathy-Related D286G Mutation on Actin Function. Frontiers in Physiology, 9: 1756 (2018).


  106. Jiale Ma, Qiangqiang Meng, Chun Chan, Zhen Li, Yonghui Zhang, and Jun Fan*. Alkyl Tail Aggregations Break Long Range Ordering of Ionic Liquids Confined in Sub-nanometer Pores. J. Phys. Chem. C, 122: 27314–27322 (2018).


  107. Zhen Xu, Peilin Fang, Bingzhe Xu, Yufeng Lu, Jinghui Xiong, Feng Gao, Xin Wang, Jun Fan, and Peng Shi. High-throughput Three-dimensional Chemotactic Assays Reveal Steepness-dependent Complexity in Neuronal Sensation to Molecular Gradients. Nat. Comm., 9: 4745 (2018).


  108. Zhen Li, Yonghui Zhang, Chun Chan, Chunyi Zhi*, Xiaolin Cheng*, and Jun Fan*. Temperature-Dependent Lipid Extraction from Membranes by Boron Nitride Nanosheets. ACS Nano, 12: 2764-2772 (2018).


  109. Yonghui Zhang, Chun Chan, Zhen Li, Jia Le Ma, Qiangqiang Meng, Xiaolin Cheng, and Jun Fan*. Lipid Extraction by Boron Nitride Nanosheets from Liquid-ordered and Liquid-disordered Nanodomains. Nanoscale, 10: 14073 (2018).


  110. Qiangqiang Meng, Jia Le Ma, Yonghui Zhang, Zhen Li, Alice Hu, Ji-Jung Kai, and Jun Fan*. Theoretical Investigation of Zirconium Carbide Mxenes as Prospective High Capacity Anode Materials for Na-ion Batteries. J. Mater. Chem. A, 6: 13652 (2018). This article is part of the themed collection: 2018 JMCA HOT Papers.


  111. Qiangqiang Meng, Jiale Ma, Yonghui Zhang, Zhen Li, Chunyi Zhi, Alice Hu, and Jun Fan*. The S-functionalized Ti3C2 Mxene as a High Capacity Electrode Material for Na-ion Batteries: A DFT Study. Nanoscale, 10: 3385-3392 (2018).


  112. Y.F. Ye, Y.H. Zhang, Q.F. He, Y. Zhuang, S. Wang, S.Q. Shi, A. Hu, Jun Fan, and Y. Yang. Atomic-scale Distorted Lattice in Chemically Disordered Equimolar Complex Alloys. Acta Materialia, 150: 182-194 (2018).


  113. Yan Huang, Zhen Li, Zengxia Pei, Zhuoxin Liu, Hongfei Li, Minshen Zhu, Jun Fan*, Quanbin Dai, Mingdao Zhang, Liming Dai* and Chunyi Zhi*. Solid-State Rechargeable Zn//NiCo and Zn-air Batteries with Ultra-Long Lifetime and High Capacity: the Role of a Sodium Polyacrylate Hydrogel Electrolyte. Adv. Energy Mater., 8: 1802288 (2018).


  114. Jiale Ma, Qiangqiang Meng, and Jun Fan*. Charge Driven Lateral Structural Evolution of Ions in Electric Double Layer Capacitor Strongly Correlates with Differential Capacitance. Phys. Chem. Chem. Phys., 20: 9054-8063 (2018).


  115. Guojin Liang, Zhuoxin Liu, Funian Mo, Zijie Tang, Hongfei Li, Zifeng Wang, Venkateshwarlu Sarangi, Abhijit Pramanick, Jun Fan*, and Chunyi Zhi*. Self-Healable Electroluminescent Devices. Light: Sci. Appl., 7: 102 (2018).


  116. Yonghui Zhang, Zhen Li, Chun Chan, Jiale Ma, Chunyi Zhi, Xiaolin Cheng, and Jun Fan*. Ordering of Lipid Membranes Altered by Boron Nitride Nanosheet. Phys. Chem. Chem. Phys., 20: 3903-3910 (2018). Inside Cover Story




  117. 2017


  118. Ning Ma, Cong Lin, Nian Wu, Qi Liu, Jia-Le Ma, Wei Meng, Xiao-Shuang Wang, Lu Zhang, Xiaohui Xu, Yifang Zhao, Lin Zhuang, Jun Fan, Junliang Sun, Ren-Xi Zhuo, and Xian-Zheng Zhang. Stomata-like Metal Peptide Coordination Polymer. J. Mater. Chem. A, 5: 23440-23445 (2017).


  119. Qiangqiang Meng, Alice Hu, Chunyi Zhi, and Jun Fan*. Theoretical Prediction of MXene-like Structure Ti3C4 as a High Capacity Electrode Material for Na ion Batteries. Phys. Chem. Chem. Phys., 19: 29106-29113 (2017). This article is part of the themed collection: 2017 PCCP HOT Articles.


  120. Yanhua Zhao, Yang Wu, Liang Wang, Manman Zhang, Xuan Chen, Minjie Liu, Jun Fan, Junqiu Liu, Feng Zhou, and Zuankai Wang. Bio-inspired Reversible Underwater Adhesive. Nat. Commun., 8: 2218 (2017). Selected by The Latest Science as the paper of the month (January 2018)


  121. Chun Chan, Lanyuan Lu, Fei Sun, and Jun Fan*. Molecular Details of the PH Domain of ACAP1BAR-PH Protein Binding to PIP-Containing Membrane. J. Phys. Chem. B, 121: 3586-3596 (2017).


  122. Xuebo Quan, Chunwang Peng, Daohui Zhao, Libo Li, Jun Fan, and Jian Zhou. Molecular Understanding of the Penetration of Functionalized Gold Nanoparticles into Asymmetric Membranes. Langmuir, 33: 361 (2017). Cover Story




  123. 2016


  124. Chun Chan, Jun Fan, Andrew Messer, Steve Marston, Hiroyuki Iwamoto, and Julien Ochala. Myopathy-inducing Mutation H40Y in ACTA1 Hampers Actin Filament Structure and Function. BBA - Molecular Basis of Disease, 1862: 1453 (2016).


  125. Yifan Ye, Xiaodi Liu, Song Wang, Jun Fan, Chain Tsuan Liu, and Yong Yang. The Kinetic Origin of Delayed Yielding in Metallic Glasses. Appl. Phys. Lett., 108: 251901 (2016).


  126. S. Lan, M. Blodgett, K. F. Kelton, Jiale Ma, Jun Fan, and X.-L. Wang. Structural Crossover in a Supercooled Metallic Liquid and the Link to a Liquid-to-Liquid Phase Transition. Appl. Phys. Lett., 108, 211907 (2016).


  127. Feng Wang, Jiale Ma, Fangyan Xie, Linkai Li, Jian Chen, Jun Fan, and Ni Zhao. Organic Cation-Dependent Degradation Mechanism of Organo Tin Halide Perovskites. Adv. Funct. Mater., 26: 3417 (2016).


  128. Xian Chen, Limin Jin, Wei Kong, Tianying Sun, Wenfei Zhang, Xinhong Liu, Jun Fan, Siu Fung Yu, and Feng Wang. Confining Exciton Migration in Upconversion Nanoparticles towards Deep Ultraviolet Lasing. Nat. Commun., 7: 10304 (2016).


  129. Chun Chan, Haohua Wen, Lanyuan Lu, and Jun Fan*, Multiscale Molecular Dynamics Simulations Membrane Remodelling by BAR Family Proteins. Chinese Physics B, 25: 018707 (2016). Invited Review


  130. Yifan Ye, Song Wang, Jun Fan, Chain-Tsuan Liu, and Yong Yang. Atomistic Mechanism of Elastic Softening in Metallic Glass under Cyclic Loading Revealed by Molecular Dynamics Simulations. Intermetallics, 68: 5 (2016).




  131. 2015


  132. Qi Wu, Bolong Huang, T. A. Niehaus, Xiaojing Yang, Jun Fan*, and Rui-Qin Zhang*. The Role of Tryptophans in the UV-B Absorption of a UVR8 Photoreceptor - A Computational Study. Phys. Chem. Chem. Phys., 17: 10786-10794 (2015).


  133. Xiaoli Zeng, Zhong Ren, Qi Wu, Jun Fan, Pan-Pan Peng, Kun Tang, Ruiqin Zhang, Kai-Hong Zhao, and Xiaojing Yang. Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8. Nat. Plants, 1: 14006 (2015).




  134. 2014


  135. Xiaoyun Pang, Jun Fan, Yan Zhang, Kai Zhang, Bingquan Gao, Jun Ma, Jian Li, Yuchen Deng, Qiangjun Zhou, Edward H. Egelman, Victor W. Hsu, and Fei Sun. A PH Domain in ACAP1 Possesses Key Features of the BAR Domain in Promoting Membrane Curvature. Developmental Cell, 31: 73 (2014). Highlighted in A Novel Twist In Membrane dePHormation Developmental Cell, 31: 3 (2014).


  136. Heqin Huang, Rui Chen, Jiale Ma, Li Yan, Yingqi Zhao, Yu Wang, Wenjun Zhang*, Jun Fan*, and Xianfeng Chen*. Graphitic Carbon Nitride Solid Nanofilms for Selective and Recyclable Sensing of Cu2+ and Ag+ in Water and Serum. Chem. Comm., 50: 15415 (2014).


  137. Yingzhi Xu, He Li, Ying-hua Jim, Jun Fan*, and Fei Sun*. Dimerization Interface of 3-hydroxyacly- CoA Tunes the Formation of Its Catalytic Intermediate. PloS ONE, 9: 959965 (2014).




  138. Before Joining CityU


  139. Jun Fan, Marissa G. Saunders, Esmael J. Haddadian, Karl F. Freed, Enrique M. De La Cruz, and Gregory A. Voth. Molecular Origins of Coflin-linked Changes in Actin Filament Mechanics. J. Mol. Biol., 425: 1225 (2013).


  140. Jun Fan, Marissa G. Saunders, and Gregory A. Voth. Coarse-graining Provides Insights on the Essential Nature of Heterogeneity in Actin Filaments. Biophys. J., 103: 1334 (2012).


  141. Jun Fan, Tao Han, and Mikko Haataja. Hydrodynamic Effects on Spinodal Decomposition Kinetics in Lipid Bilayer Membranes. J. Chem. Phys., 133: 235101 (2010).


  142. Jun Fan, Maria Sammalkorpi, and Mikko Haataja. Formation and Regulation of Lipid Microdomains in Cell Membranes: Theory, Modeling, and Speculation. FEBS Lett., 584: 1678 (2010).


  143. Jun Fan, Maria Sammalkorpi, and Mikko Haataja. Lipid Microdomains: Structural Correlations, Fluctuations, and Formation Mechanisms. Phys. Rev. Lett., 104: 118101 (2010).


  144. Jun Fan, Maria Sammalkorpi, and Mikko Haataja. Influence of Non-equilibrium Lipid Transport, Membrane Compartmentalization, and Membrane Proteins on the Lateral Organization of the Plasma Membrane. Phys. Rev. E, 81: 011908 (2010).


  145. Juan Meng, Jun Fan, G Galiana, RT Branca, PL Clasen, S Ma, J Zhou, C Leuschner, CSSR Kumar, J Hormers, T Otiti, AC Beye, MP Harmer, CJ Kiely, W Warren, M Haataja, and WO Soboyejo. LHRH-functionalized Superparamagnetic Iron Oxide Nanoparticles for Breast Cancer Targeting and Contrast Enhancement in MRI. Mater. Sci. Eng. C, 29: 1467 (2009).


  146. Jun Fan, Maria Sammalkorpi, and Mikko Haataja. Domain Formation in the Plasma Membrane. Phys. Rev. Lett., 100: 178102 (2008).


  147. Jun Fan, Michael Greenwood, Mikko Haataja, and Nikolas Provatas. Phase-field Simulations of Velocity Selection in Rapidly Solidified Binary Alloys. Phys. Rev. E., 74: 031602 (2006).