(*Corresponding author; Equal contribution)

  1. Xinyu Wang*, Hongzhao Fan, Dan Han, Yang Hong, Jingchao Zhang*, “Thermal Boundary Resistance at Graphene-Pentacene Interface Explored by A Data-Intensive Approach”, Nanotechnology, 2021, 32, 215404 pdf, Endnote
  2. Yang Hong, Dan Han, Bo Hou, Xinyu Wang*, Jingchao Zhang*, “High-Throughput Computations of Cross-Plane Thermal Conductivity in Multilayer Stanene”, International Journal of Heat and Mass Transfer, 2021, 272, 121073 pdf, Endnote
  3. Dan Han, Xiaoheng Yang, Mu Du, Gongming Xin, Jingchao Zhang, Xinyu Wang*, Lin Cheng*, “Improved thermoelectric properties of WS2–WSe2 phononic crystals: insights from first-principles calculations”, Nanoscale, 2021 pdf
  4. Fei Li, Qingming Ma, Gongming Xin, Jingchao Zhang*, Xinyu Wang*, “Heat transfer and flow characteristics of microchannels with solid and porous ribs”, Applied Thermal Engineering, 2020, 178, 115639 pdf, Endnote
  5. Wenyang Ding, Dan Han, Jingzhi Zhang, Qingming Ma, Xiaoyan Li, Jingchao Zhang*, Xinyu Wang*, “Molecular Dynamics Study of Anisotropic Behaviors of Water Droplet on Textured Surfaces with Various Energies”, Molecular Physics, 2020, pdf, Endnote
  6. Hongzhao Fan, Man Wang, Dan Han, Jingzhi Zhang, Jingchao Zhang, Xinyu Wang*, “Enhancement of interfacial thermal transport between metal and organic semiconductor using selfassembled monolayers with different terminal groups”, Journal of Physical Chemistry C, 2020, 124(31), 16748–16757 pdf, Endnote
  7. Mingxia Lu, Shanshan Liu, Jing Chen, Xia Zhang, Jingchao Zhang, Zhe Li, Bo Hou*, “Rational-Designed Hybrid Aerogels for Ultra-Flyweight Electrochemical Energy Storage”, Journal of Physical Chemistry C, 2020, 124(29), 15688–15697 pdf, Endnote
  8. Bo Hou, Byung-Sung Kim, Harrison K. H. Lee, Yuljae Cho, Paul Giraud, Mengxia Liu, Jingchao Zhang, Matthew L. Davies, James R. Durrant, Wing C. Tsoi, Zhe Li, Stoichko Dimitrov*, Jung Inn Sohn*, SeungNam Cha*, Jong Min Kim, “Multiphoton Absorption Stimulated Metal Chalcogenide Quantum Dot Solar Cells Under Ambient and Concentrated Irradiance”, Advanced Functional Materials, 2020, pdf, Endnote
  9. Benxuan Li, Mingxia Lu, Jiangtao Feng, Jingchao Zhang, Peter M Smowton, Jung Inn Sohn, Il-Kyu Park, Haizheng Zhong, Bo Hou*, “Colloidal Quantum Dot Hybrids: An Emerging Class of Materials for Ambient Lighting”, Journal of Materials Chemistry C, 2020, pdf, Endnote
  10. Yang Hong, Bo Hou, Hengle Jiang, Jingchao Zhang*, “Machine Learning and Artificial Neural Network Accelerated Computational Discoveries in Materials Science”, WIREs Computational Molecular Science, 10(3), e1450, 2020, pdf, Endnote
  11. Mingxia Lu, Gang Wang, Bo Li, Jing Chen, Jingchao Zhang, Zhe Li, Bo Hou*, “Molecular Interactions Balanced One- and Two-Dimensional Hybrid Nanoarchitectures for High-Performance Supercapacitors”, Physical Chemistry Chemical Physics, 2019, 21, 22283-22292 pdf, Endnote
  12. Bo Hou, Su-Ho Jung, Jingchao Zhang, Yang Hong, Byung-Sung Kim, Jung Inn Sohn, Eun-Kyung Lee, Byoung Lyong Choi, Dongmok Whang, SeungNam Cha*, JongMin Kim, “Growth of Quantum Dot Coated Core-Shell Anisotropic Nanowires and Their Thermal and Electronic Transport”, Applied Physics Letters, 114, 243104, 2019, pdf, Endnote
  13. Bo Hou, Myungbeom Sohn, Young-Woo Lee, Jingchao Zhang, Jung Inn Sohn, Hansu Kim*, SeungNam Cha* and Jong Min Kimg, “Chemically Encoded Self-Organized Quantum Chain Supracrystals with Exceptional Charge and Ion Transport Properties”, Nano Energy, 62, 764-771, 2019, pdf, Endnote
  14. Bo Yang, Maodong Li*, Jiye Wang, Jingchao Zhang, Dongmei Liao, Yanan Yue*, “Critical Fracture Properties in Puckered and Buckled Arsenene by Molecular Dynamics Simulation”, Physical Chemistry Chemical Physics, 21, 12372-12379, 2019, pdf, Endnote
  15. Xinyu Wang*, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang*, “Machine Learning Enabled Prediction of Mechanical Properties of Tungsten Disulfide Monolayer”, ACS Omega, 4(6), 10121-10128, 2019, pdf, Endnote
  16. Wenyang Ding, Dan Han, Jingchao Zhang, Xinyu Wang*, “Mechanical Responses of WSe2 Monolayers: A Molecular Dynamics Study”, Materials Research Express, 6, 085071, 2019, pdf, Endnote
  17. Yang Hong, Yongqiang Wu, Shuimu Wu, Xinyu Wang, Jingchao Zhang*, “Overview of Computational Simulations in Quantum Dots”, Israel Journal of Chemistry, 59, 1–13, 2019 pdf, Endnote
  18. Zesheng Zhang, Yang Hong, Bo Hou, Zhongtao Zhang, Mehrdad Negahban, Jingchao Zhang*, “Accelerated Discoveries of Mechanical Properties of Graphene Using Machine Learning and High-Throughput Computation”, Carbon, 148, 115-123, 2019 pdf, Endnote
  19. Xinyu Wang, Yang Hong, Man Wang, Gongming Xin, Yanan Yue, Jingchao Zhang*, “Mechanical Properties of Molybdenum Diselenide Revealed by Molecular Dynamics Simulation and Support Vector Machine”, Cover ArticlePhysical Chemistry Chemical Physics, 121, 9159 - 9167, 2019 pdf, Endnote
  20. Yangheng Xiong, Hao Wu, Jianshu Gao, Wen Chen, Jingchao Zhang*, Y Yue*, “Toward Improved Thermal Conductance of Graphene-Polyethylene Composites via Surface Defect Engineering: A Molecular Dynamics Study”, Acta Physico-Chimica Sinica, 35, 0001-0009, 2019 pdf, Endnote
  21. Yang Hong, Jingchao Zhang, Chongqin Zhu*, Xiao Cheng Zeng*, Joseph S. Francisco, “Water Desalination through Rim Functionalized Carbon Nanotubes” Cover Article, Journal of Materials Chemistry A, 7, 3583-3591, 2019 pdf, Endnote
  22. Dan Han, Xinyu Wang*, Wenyang Ding, Yue Chen, Jingchao Zhang, Gongming Xin, Lin Cheng*, “Phonon thermal conduction in a graphene-C3N heterobilayer using molecular dynamics simulations”, Nanotechnology, 30, 075403, 2018 pdf, Endnote
  23. Yang Hong, Zhongtao Zhang, Jingchao Zhang*, Xiao Cheng Zeng*, “Machine Learning and Artificial Neural Network Prediction of Interfacial Thermal Resistance between Graphene and Hexagonal Boron Nitride”, Nanoscale, 10, 19092-19099, 2018 pdf, Endnote
  24. Meng Han, Yangsu Xie, Jing Liu, Jingchao Zhang, Xinwei Wang*, “Significantly Reduced c-axis Thermal Diffusivity of Graphene-based Papers”, Nanotechnology, 29, 265702, 2018 pdf, Endnote
  25. Yang Hong, Jingchao Zhang*, Xiao Cheng Zeng*, “Monolayer and Bilayer Polyaniline C3N: Two-Dimensional Semiconductors with High Thermal Conductivity”, 2018 Nanoscale Top 25 Most Popular Articles Nanoscale, 10, 4301-4310, 2018 pdf, Endnote
  26. Yang Hong, Minggang Ju, Jingchao Zhang*, Xiao Cheng Zeng*, “Phonon Thermal Transport in Graphene/MoSe2 van der Waals Heterobilayer”, Physical Chemistry Chemical Physics, 20, 2637-2645, 2018 pdf, Endnote
  27. Changzheng Li, Jingchao Zhang, Qingang Xiong, Giulio Lorenzini, Yanan Yue*, “pH Effect on Thermal Response of Fluorescence Spectroscopy of Graphene Quantum Dots for Nanoscale Thermal Characterization”, Journal of Engineering Thermophysics, 27, 345-356, 2018 pdf, Endnote
  28. Yang Hong, Jingchao Zhang*, Xiao Cheng Zeng*, “Thermal Transport in Phosphorene and Phosphorene-Based Materials: A Review on Numerical Studies”, Chinese Physics B, 27, 036501, 2018 pdf, Endnote
  29. Dongmei Liao, Wen Chen, Jingchao Zhang, Yanan Yue*, “Tuning Thermal Conductance of CNT Interface Junction via Stretching and Atomic Bonding”, Journal of Physics D: Applied Physics, 50, 475302, 2017 pdf, Endnote
  30. Xinyu Wang, Man Wang, Yang Hong, Zongrong Wang, Jingchao Zhang*, “Coherent and Incoherent Phonon Transport in Graphene and Nitrogenated Holey Graphene Superlattice”, Physical Chemistry Chemical Physics, 19, 24240-24248, 2017 pdf, Endnote
  31. Xinyu Wang, Yang Hong, Paddy K L Chan, Jingchao Zhang*, “Phonon Thermal Transport in Silicene-Germanene Superlattice: A Molecular Dynamics Study”, Nanotechnology, 28, 255403, 2017 pdf, Endnote
  32. Xinyu Wang, Jingchao Zhang, Yue Chen, Paddy K L Chan*, “Investigation of interfacial thermal transport across graphene and an organic semiconductor using molecular dynamics simulations”, Physical Chemistry Chemical Physics, 19, 15933-15941, 2017 pdf, Endnote
  33. Xinyu Wang, Yang Hong, Dongwei Ma, Jingchao Zhang*, “Molecular Dynamics Study of Thermal Transport in Nitrogenated Holey Graphene Bilayer”, Journal of Materials Chemistry C, 5, 5119-5127, 2017 pdf, Endnote
  34. Jingchao Zhang*, Yang Hong, Xinyu Wang, Yanan Yue*, Danmei Xie, Jin Jiang, Yangheng Xiong, Peisheng Li, “Phonon Thermal Properties of Transition-Metal Dichalcogenides MoS2 and MoSe2 Heterostructure”, The Journal of Physical Chemistry C, 121(19), 10336–10344, 2017 pdf, Endnote
  35. Yanan Yue*, Jingchao Zhang, Yangsu Xie, Wen Chen, Xinwei Wang*, “Energy Coupling across Low-dimensional Contact Interfaces at the Atomic Scale”, International Journal of Heat and Mass Transfer, 110, 827–844, 2017 pdf, Endnote
  36. Qingang Xiong, Yang Yang, Fei Xu, Yaoyu Pan, Jingchao Zhang, Kun Hong*, Giulio Lorenzini*, Shurong Wang*, “Overview of Computational Fluid Dynamics Simulation of Reactor-Scale Biomass Pyrolysis”, ACS Sustainable Chemistry & Engineering, 5(4), 2783–2798, 2017 pdf, Endnote
  37. Xinyu Wang, Jingchao Zhang, Yue Chen*, Paddy K. L. Chan*, “Molecular dynamics study of thermal transport in dinaphtho[2,3-b:2’,3’-f]thieno[3,2-b]thiophene (DNTT) organic semiconductor”, Nanoscale, 9, 2262-2271, 2017 pdf, Endnote
  38. Jingchao Zhang*, Xinyu Wang, Yang Hong, Qingang Xiong, Jin Jiang, Yanan Yue*, “Understanding thermal transport in asymmetric layer hexagonal boron nitride heterostructure”, Nanotechnology 28, 035404, 2017 pdf, Endnote
  39. Yang Hong, Chongqin Zhu, Minggang Ju, Jingchao Zhang*, Xiao Cheng Zeng*, “Lateral and Flexural Phonon Thermal Transport in Graphene and Stanene Bilayer”, Physical Chemistry Chemical Physics, 19, 6554-6562, 2017 pdf, Endnote
  40. Jingchao Zhang, Yang Hong, Mengqi Liu, Yanan Yue, Qingang Xiong*, Giulio Lorenzini*, “Molecular dynamics simulation of the interfacial thermal resistance between phosphorene and silicon substrate”, International Journal of Heat and Mass Transfer 104, 87-877, 2017 pdf, Endnote
  41. Yang Hong, Jingchao Zhang* and Xiao Cheng Zeng*, “Interlayer thermal conductance within a phosphorene and graphene bilayer”, Nanoscale, 8, 19211-19218, 2016 pdf, Endnote
  42. Yang Hong, Jingchao Zhang*, Xiao Cheng Zeng*, “Thermal Conductivity of Monolayer MoSe2 and MoS2”, The Journal of Physical Chemistry C, 120 (45), 26067–26075, 2016 pdf, Endnote
  43. Wen Chen, Jingchao Zhang*, Yanan Yue*, “Molecular dynamics study on thermal transport at carbon nanotube interface junctions: Effects of mechanical force and chemical functionalization”, International Journal of Heat and Mass Transfer 103, 1058–1064, 2016 pdf, Endnote
  44. Yang Hong, Jingchao Zhang* and Xiao Cheng Zeng*, “Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet”, Physical Chemistry Chemical Physics, 18, 24164-24170, 2016 pdf, Endnote
  45. Qingang Xiong*, Jingchao Zhang, Fei Xu, Gavin Wiggins, C.Stuart Daw*, “Coupling DAEM and CFD for simulatingbiomass fast pyrolysis in fluidized beds”, Journal of Analytical and Applied Pyrolysis 117, 176–181,1,2016 pdf, Endnote
  46. Yanan Yue, Jingchao Zhang, Xiaoduan Tang, Shen Xu, Xinwei Wang*, “Thermal transport across atomic-layer material interfaces”, Nanotechnology Reviews 4 (6), 533–555, 1, 2015 pdf, Endnote
  47. Yang Hong, Jingchao Zhang*, Xiaopeng Huang, Xiao Cheng Zeng*, “Thermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene”, Nanoscale 7, 18716-18724, 3, 2015 pdf, Endnote
  48. Jingchao Zhang, Yang Hong, Zhen Tong, Zhihuai Xiao*, Hua Bao, Yanan Yue*, “Molecular Dynamics Study of Interfacial Thermal Transport between Silicene and Substrate” Back Cover Article, Physical Chemistry Chemical Physics 17, 23704-23710, 2, 2015 pdf, Endnote
  49. Jingchao Zhang*, Yang Hong, Yanan Yue*, “Thermal transport across graphene and single layer hexagonal boron nitride”, Journal of Applied Physics 117 (13), 134307, 8, 2015 pdf, Endnote
  50. Man Li, Jingchao Zhang, Xuejiao Hu, Yanan Yue*, “Thermal transport across graphene/SiC interface: effects of atomic bond and crystallinity of substrate”, Applied Physics A 119 (2), 415-424, 3, 2015 pdf, Endnote
  51. Jingchao Zhang, Fei Xu, Yang Hong, Qingang Xiong*, J Pan*, “A comprehensive review on the molecular dynamics simulation of the novel thermal properties of graphene”, RSC Advances 5, 89415-89426, 2015 pdf, Endnote
  52. Yang Hong, Lei Li, Xiao Cheng Zeng*, Jingchao Zhang*, “Tuning thermal contact conductance at graphene-copper interface via surface nanoengineering”, 2015 Hot Papers in Nanoscale Nanoscale 7, 6286-6294, 8, 2015 pdf, Endnote
  53. Xiaoduan Tang, Shen Xu, Jingchao Zhang, Xinwei Wang*, “Five orders of magnitude reduction in energy coupling across corrugated graphene/substrate interfaces”, ACS Applied Materials & Interfaces 6 (4), 2809-2818, 6, 2014 pdf, Endnote
  54. Jingchao Zhang, Xinwei Wang*, Huaqing Xie, “Co-existing heat currents in opposite directions in graphene nanoribbons”, Physics Letters A 377 (41), 2970-2978, 6, 2013 pdf, Endnote
  55. Chong Li, Jingchao Zhang, Xinwei Wang*, “Phase change and stress wave in picosecond laser–material interaction with shock wave formation”, Applied Physics A 112 (3), 677-687, 8, 2013 pdf, Endnote
  56. Jingchao Zhang, Xinwei Wang*, Huaqing Xie, “Phonon energy inversion in graphene during transient thermal transport”, Physics Letters A 377 (9), 721-726, 8, 2013 pdf, Endnote
  57. Jingchao Zhang, Xinwei Wang*, “Thermal transport in bent graphene nanoribbons”, Nanoscale 5 (2), 734-743, 15, 2013 pdf, Endnote
  58. Jingchao Zhang, Yongchun Wang, Xinwei Wang*, “Rough contact is not always bad for interfacial energy coupling”, Nanoscale 5 (23), 11598-11603, 12, 2013 pdf, Endnote
  59. Yanan Yue, Jingchao Zhang, Xinwei Wang*, “Micro/Nanoscale Spatial Resolution Temperature Probing for the Interfacial Thermal Characterization of Epitaxial Graphene on 4H‐SiC”, Small 7 (23), 3324-3333, 37, 2011 pdf, Endnote
  60. Jingchao Zhang, Xiaopeng Huang, Yanan Yue, Jianmei Wang, Xinwei Wang*, “Dynamic response of graphene to thermal impulse”, Physical Review B 84 (23), 235416, 24, 2011 pdf, Endnote