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Journal Articles: (# equal contributions, *corresponding author)

  1. Zhen Tong*, Yatian Zhang, Thomas Frauenheim, and Traian Dumitrica*, Layered Germanium–Selenium Compounds as Phonon–Glass Electron–Crystals: A Pathway to Enhance the Thermoelectric Performance, Nano Letters, 25, 7283-7291, 2025. (link)

  2. Yatian Zhang, Thomas Frauenheim, Traian Dumitrica*, and Zhen Tong*, Lonesome Ag Atoms Drive Ultralow Thermal Conductivity in Argyrodite Ag8SnSe6, PRX Energy, 4, 013012, 2025. (link)

  3. Jianshi Sun, Shouhang Li*, Cheng Shao, Zhen Tong, Meng An, Yuhang Yao, Yue Hu, Xiongfei Zhu, Yifan Liu, Renzong Wang, Xiangjun Liu*, and Thomas Frauenheim, Unlocking high hole mobility in diamond over a wide temperature range via efficient shear strain, Applied Physical Review, 12, 011408, 2025. (link)

  4. Jianshi Sun, Shouhang Li*, Zhen Tong, Cheng Shao, Meng An, Xiongfei Zhu, Chuang Zhang, Xiangchuan Chen, Renzong Wang, Yucheng Xiong, Thomas Frauenheim, and Xiangjun Liu*, Giant Enhancement of Hole Mobility for 4H-Silicon Carbide through Suppressing Interband Electron–Phonon Scattering, Nano Letters, 24, 10569−10576, 2024. (link, selected as Cover)

  5. Peng-Fei Liu, Xiyang Li, Jingyu Li, Jianbo Zhu, Zhen Tong, Maiko Kofu, Masami Nirei, Juping Xu, Wen Yin, Fangwei Wang, Tianjiao Liang, Lin Xie, Yongsheng Zhang, David J. Singh, Jie Ma, Hua Lin*, Junrong Zhang*, Jiaqing He*, and Bao-Tian Wang*, Strong low-energy rattling modes enabled liquid-like ultralow thermal conductivity in a well-ordered solid, National Science Review, 12, nwae216, 2024. (link)

  6. Jianshi Sun, Shouhang Li*, Zhen Tong, Cheng Shao, Xiangchuan Chen, Qianqian Liu, Yucheng Xiong, Meng An, and Xiangjun Liu*, Weak effects of electron-phonon interactions on the lattice thermal conductivity of wurtzite GaN with high electron concentrations, Physical Review B 109, 134308, 2024. (link)

  7. Zhen Tong*, Alessandro Pecchia, ChiYung Yam, Traian Dumitrica*, and Thomas Frauenheim*, Glass-like Transport Dominates Ultralow Lattice Thermal Conductivity in Modular Crystalline Bi4O4SeCl2, Nano Letters, 23, 9468-9473, 2023. (link) [News, News]

  8. Zhen Tong*, Traian Dumitrica*, and Thomas Frauenheim*, Intrinsically Low Thermal Conductivity in the Most Lithium-Rich Binary Stannide Crystalline Li5Sn, The Journal of Physical Chemistry Letters, 14, 8139-8144, 2023. (link) [News]

  9. Yatian Zhang, Thomas Frauenheim*, Traian Dumitrica*, and Zhen Tong*, Theoretical Insights into Thermal Conductivity Variations in Various Phases of the Cu2Te Multiphase Transition Material, ACS Applied Energy Materials, 6, 9657-9662, 2023. (link)

  10. Zhen Tong*, Yatian Zhang, Alessandro Pecchia, ChiYung Yam, Liujiang Zhou, Traian Dumitrica*, and Thomas Frauenheim*, Predicting the lattice thermal conductivity in nitride perovskite LaWN3 from ab initio lattice dynamics, Advanced Science, 10, 2205934, 2023. (link) [News] 

  11. Zhen Tong*, Long Li*, Andrei Dernov, Traian Dumitrica*, and Thomas Frauenheim*, Multitemperature Modeling of Thermal Transport across Au-GaN Interface from Ab Initio Calculations, ACS Applied Electronic Materials, 4, 4553-4559, 2022 (link)

  12. Yatian Zhang, Zhen Tong*, Alessandro Pecchia, ChiYung Yam, Traian Dumitrica*, and Thomas Frauenheim*, Four-Phonon and Electron-Phonon Scattering Effects on Thermal Properties in Two-Dimensional 2H-TaS2, Nanoscale, 14, 13053, 2022 (link)

  13. Zhen Tong*, Alessandro Pecchia, ChiYung Yam, Liujiang Zhou, Traian Dumitrica*, and Thomas Frauenheim*, Anisotropic phononic and electronic thermal transport in BeN4, The Journal of Physical Chemistry Letters, 13, 4501-4505, 2022. (link)

  14. Long Li, Feng He*, Xu Zhao, Zhen Tong, and Liang Guo*, Effect of diffusion on acoustic deformation potential characterization through coherent acoustic phonon dynamics, Physical Review B, 106, L060304, 2022. (link)

  15. Andrei Dernov, Zhen Tong, Ravi Kumar, Pulkit Agarwal, Thomas Frauenheim, and Traian Dumitrica*, Density Functional-Based Tight-Binding Simulations of Pristine and Aluminum-Modified Silica, Advanced Theory and Simulations, 2200284, 2022. (link)

  16. Shouhang Li*, Zhen Tong, Cheng Shao, Hua Bao, Thomas Frauenheim, and Xiangjun Liu*, Anomalously Isotropic Electron Transport and Weak Electron-phonon Interactions in Hexagonal, Journal of Physical Chemistry Letters, 13, 4289-4296, 2022. (link)

  17. Zhen Tong*, Alessandro Pecchia, ChiYung Yam, Traian Dumitrica*, and Thomas Frauenheim*, Ultrahigh Electron Thermal Conductivity in T-graphene, Biphenylene, and Net-graphene, Advanced Energy Materials, 12, 2200657, 2022. (link, selected as Cover) [News]

  18. Zhen Tong, Joseph Peoples, Xiangyu Li, Xiaolong Yang, Hua Bao*, and Xiulin Ruan*, Electronic and phononic origins of BaSO4 as an ultra-efficient radiative cooling paint pigment, Materials Today Physics, 24, 100658, 2022. (link)  [News]

  19. Zhen Tong*, Alessandro Pecchia, ChiYung Yam, Hua Bao, Traian Dumitrica*, and Thomas Frauenheim*, Significant increase of electron thermal conductivity in Dirac semimetal Beryllonitrene by doping beyond van Hove singularity, Advanced Functional Materials, 32, 2111556, 2022. (link)  [News, selected as a Highly Cited Paper]

  20. Zhen Tong, Alessandro Pecchia, ChiYung Yam, Traian Dumitrica*, and Thomas Frauenheim*, Phononic thermal transport along graphene grain boundaries: A hidden vulnerability, Advanced Science, 8, 2101624, 2021. (link)

  21. Zhen Tong, Traian Dumitrica*, and Thomas Frauenheim*, Ultralow thermal conductivity of two-dimensional MoO3, Nano Letters, 21, 4351–4356, 2021. (link)

  22. Zhen Tong, Traian Dumitrica*, and Thomas Frauenheim*, First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO3, Physical Chemistry Chemical Physics, 23, 19627, 2021. (link)

  23. Xiao Guo, Zeyu Peng, Pengbo Ding, Long Li, Xinyi Chen, Haoyun Wei, Zhen Tong, and Liang Guo*, Nonlinear optical properties of 6H-SiC and 4H-SiC in an extensive spectral range, Optical Materials Express, 11, 1080-1092, 2021. (link)

  24. Shouhang Li, Zhen Tong, Xinyu Zhang, and Hua Bao*, Thermal conductivity and Lorenz ratio of metals at intermediate temperatures with mode-level first-principles analysis, Physical Review B, 102, 174306, 2020. (link)

  25. Shouhang Li, Ao Wang, Yue Hu, Xiaokun Gu, Zhen Tong, and Hua Bao*, Anomalous thermal transport in metallic transition-metal nitrides originated from strong electron-phonon interactions, Materials Today Physics, 15, 100256, 2020. (link)

  26. Evan Witkoske, Zhen Tong, Yining Feng, Xiulin Ruan, Mark Lundstrom, and Na Lu*, The use of strain and grain boundaries to tailor phonon transport properties: A first principles study of 2H-phase CuAlO2 (Part II), Journal of Applied Physics, 127, 115108, 2020. (link)

  27. Zhen Tong, Xiaolong Yang, Tianli Feng, Hua Bao*, and Xiulin Ruan*, First-principles predictions of temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift, Physical Review B, 101, 125416, 2020. (link)

  28. Zhen Tong, Shouhang Li, Xiulin Ruan, and Hua Bao*, Comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals, Physical Review B, 100, 144306, 2019. (link)

  29. Si Wu, Tingxian Li*, Zhen Tong, Jingwei Chao, Tianyao Zhai, Jiaxing Xu, Taisen Yan, Minqiang Wu, Zhenyuan Xu, Hua Bao, Tao Deng* and Ruzhu Wang*, High-performance thermally conductive phase change composites by large-size oriented graphite sheet for scalable thermal energy harvesting, Advanced Materials, 1905099, 2019. (link)

  30. Shouhang Li, Zhen Tong, and Hua Bao*, Resolving different scattering effects on the thermal and electrical transport in doped SnSe, Journal of Applied Physics, 126, 025111, 2019. (link)

  31. Peng Tao*, Chao Chang, Zhen Tong, Hua Bao, Chengyi Song, Jianbo Wu, Wen Shang, and Tao Deng*, Magnetically-accelerated large-capacity solar-thermal energy storage within high-temperature phase-change materials, Energy & Environmental Science, 12, 1613-1621, 2019. (link)

  32. Xiaoyuan Ying, Zhen Tong, Wei Yu, and Hua Bao*, Analysis of volumetric solar collectors based on inserted absorber plates, Journal of Engineering Thermophys., 39(12), 2795-2798, 2018. (Chinese, link)

  33. Zhen Tong, Linhua Liu, Liangsheng Li*, and Hua Bao*, Temperature-dependent infrared optical properties of 3C-, 4H- and 6H-SiC, Physica B: Condensed Matter, 537, 194-201, 2018. (link)

  34. Zhen Tong and Hua Bao*, Decompose the electron and phonon thermal transport of intermetallic compounds NiAl and Ni3Al by first-principles calculations, International Journal of Heat and Mass Transfer, 117, 972-977, 2018. (link)

  35. Zhongyong Wang#, Zhen Tong# (Co-first Author), Qinxian Ye#, Hang Hu, Xiao Nie, Chen Yan, Wen Shang, Chengyi Song, Jianbo Wu, Jun Wang, Hua Bao*, Peng Tao*, and Tao Deng*, Dynamic tuning of optical absorbers for accelerated solar-thermal energy storage, Nature Communications, 8, 1478, 2017. (link)

  36. Zhen Tong, Meng Liu, and Hua Bao*, A numerical investigation on the heat conduction in high filler loading particulate composites, International Journal of Heat and Mass Transfer, 100, 355-361, 2016. (link)

  37. Zhen Tong, Meng Liu, and Hua Bao*, Unit cell finite element analysis on high filler loading composites, Journal of Engineering Thermophys, 37(3), 633-636, 2016. (Chinese, link)

  38. Jingchao Zhang, Yang Hong, Zhen Tong, Zhihuai Xiao*, Hua Bao, and Yanan Yue*, Molecular Dynamics Study of Interfacial Thermal Transport between Silicene and Substrate, Physical Chemistry Chemical Physics, 17, 23704, 2015. (link)

Conference Papers:

  1. Zhen Tong, Shouhang Li and Hua Bao, A comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals, ASME Technical presentation IMECE2019-12753, Proceedings of the 2019 ASME International Mechanical Engineering Congress and Exposition, November 11-14, 2019, Salt Lake City, USA.

  2. Shouhang Li, Zhen Tong and Hua Bao, Effects of electron-phonon interactions on lattice thermal conductivity of doped SnSe, Technical paper IHTC16-22971, 16th International Heat Transfer Conference, August 2018, Beijing, China.

  3. Zhen Tong and Hua Bao, Electron-phonon coupling contribution to thermal transport in Ni3Al from first principles, ASME Technical presentation IMECE2017-70673, Proceedings of the 2017 ASME International Mechanical Engineering Congress and Exposition, November 03-11, 2017, Tampa, Florida, USA

  4. Zhen Tong, Meng Liu and Hua Bao, Unit cell finite element analysis on high filler loading composites, Technical presentation and paper 2016-6667, Proceedings of Engineering Thermophysics Heat & Mass Transfer Conference, Oct. 30-Nov. 2, 2016, Dalian, China. (Chinese conference)

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