张杰，武汉大学材料物理与化学博士，华中科技大学博士后，研究方向为计算材料学，主要从事低维体系电热输运的多尺度模拟以及金属氧化物选择性生长机理的理论研究工作。主持了国家自然科学基金青年项目，中国博士后科学基金，作为技术骨干参与了国家重大科学研究计划青年专项、国家自然科学基金重点项目和面上项目等项目。目前已在ACS Appl. Mater. Interfaces, J. Catal., J. Mater. Chem. C, Phys. Rev. B等国际知名期刊上发表论文30余篇，其中ESI高被引论文1篇。

课题组网页：http:/info/1024/1190.htm

张杰，博士，副教授。Email:616439391@qq.com

代表性论文如下：

[1]Jie Zhang*, Minghao Zhan, Wending Wang, Xiaohong Xia, Yun Gao, Zhongbing Huang, Delocalized Ag-Ag dimer rattling mode contributes to reduced thermal conductivity and enhanced thermoelectric performance in AgAs₂, Results in Physics 73 (2025) 108285.

[2]Jie Zhang, Li Zhou, Xiaohong Xia, Yun Gao, and Zhongbing Huang*, Occupied Outer Cationic Orbitals in Dimeric MX₂-Type BaSe₂Compound Lead to Reduced Thermal Conductivity and High Thermoelectric Performance, Energy Environ. Mater. 2025, 8, e12799.

[3]Jie Zhang, Xiaohong Xia, Yun Gao, and Zhongbing Huang*, Remarkably Weakened Atomic Bonds from Dimeric Antibonding Hybridization and Enhanced Thermoelectric Performance of CdTe₂, ACS Appl. Energy Mater. 2023, 6, 11385−11395.

[4]Jie Zhang, Dan He, Hailong Jiang, Xiaohong Xia*, Yun Gao*, and Zhongbing Huang*, Remarkable Thermoelectric Performance in K₂CdPb Crystals with 1D Building Blocks via Structure Particularity and Bond Heterogeneity, ACS Appl. Energy Mater. 2022, 5, 5146−5158.

[5]Jie Zhang, Hailong Jiang, Xiaohong Xia*, Yun Gao*, and Zhongbing Huang*, Antibonding p-d and s-p Hybridization Induce the Optimization of Thermal and Thermoelectric Performance of MGeTe₃(M = In and Sb), ACS Appl. Energy Mater. 2022, 5, 12, 15566−15577.

[6]Jie Zhang, Dan He, Hailong Jiang, Xiaohong Xia, Yun Gao*, and Zhongbing Huang*, High Thermoelectric Performance Achieved in Bulk Selenium with Nanostructural Building Blocks, ACS Appl. Electron. Mater. 2021, 3, 3824−3834.

[7] Yaqing Wei, Jun He,Jie Zhang, Mingyang Ou, Yanpeng Guo, Jiajun Chen, Cheng Zeng, Jia Xu, Jiantao Han, Tianyou Zhai, Huiqiao Li*, Seamlessly Merging the Capacity of P into Sb at Same Voltage with Maintained Superior Cycle Stability and Low-temperature Performance for Li-ion Batteries, Energy Environ. Mater. 2023, 6, e12336.

[8]Jie Zhang, Dan He, Xiaohong Xia, Yun Gao*, Zhongbing Huang*, High electrical transport performance and ultralow thermal conductivity realized in Ga doped single-layer octagon-square nitrogene, Applied Surface Science 563, 150244 (2021).

[9]Jie Zhang, Huijun Liu, Yun Gao*, Xiaohong Xia and Zhongbing Huang*, The sp2 character of new two-dimensional AsB with tunable electronic properties predicted by theoretical studies, Phys. Chem. Chem. Phys. 21, 20981−20987 (2019).

[10] J. Yang#,J. Zhang#(共一), X. Liu, X. Duan, Y. Wen, R. Chen and B. Shan*, Origin of the superior activity of surface doped SmMn₂O₅mullites for NO oxidation: a first-principles based microkinetic study, Journal of Catalysis 359 (2018) 122−129.

[11] J. Cai#,J. Zhang#(共一), K. Cao*, M. Gong, Y. Lang, X. Liu, S. Chu, B. Shan, and R. Chen*, Selective Passivation of Pt Nanoparticles Toward CO Oxidation with Enhanced Sintering Resistance via Atomic Layer Deposition, ACS Applied Nano Materials 2018, 1, 522−530.

[12] Yanwei Wen#, Jiaming Cai#,Jie Zhang, Jiaqiang Yang, Lu Shi, Kun Cao, Rong Chen*, and Bin Shan*, Edge-Selective Growth of MCp₂(M = Fe, Co, and Ni) Precursors on Pt Nanoparticles in Atomic Layer Deposition: A Combined Theoretical and Experimental Study, Chemistry of Materials 31, 101−111 (2019).

[13] Jiwu Xin, Qinghui Jiang, Yanwei Wen, Sihui Li,Jie Zhang, Abdul Basit, Liang Shu, Xin Li and Junyou Yang*, An in situ eutectic remelting and oxide replacement reaction for superior thermoelectric performance of InSb, J. Mater. Chem. A 2018, 6, 17049−17056.

[14]Jie Zhang, Xiaolin Liu, Yanwei Wen, Lu Shi, Rong Chen, Huijun Liu, and Bin Shan*, Titanium Trisulfide Monolayer as a Potential Thermoelectric Material: A First-Principles-Based Boltzmann Transport Study, ACS Applied Materials & Interfaces 9, 2509−2515 (2017).

[15]J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. H. Liang, D. D. Fan, P. H. Jiang, and J. Shi, Thermal conductivities of phosphorene allotropes from first-principles calculations: a comparative study, Scientific Reports 7, 4623 (2017).

[16]J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. H. Liang, D. D. Fan, P. H. Jiang, L. Sun, and J. Shi, High thermoelectric performance can be achieved in black phosphorus, Journal of Materials Chemistry C 4, 991 (2016).

[17] J. H. Liang, L. Cheng,J. Zhang, H. J. Liu*, and Z. Y. Zhang*, Maximizing the thermoelectric performance of topological insulator Bi₂Te₃films in the few-quintuple layer regime, Nanoscale 8, 8855 (2016).

[18]J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. H. Liang, D. D. Fan, J. Shi, X. F. Tang, and Q. J. Zhang, Phosphorene nanoribbon as a promising candidate for thermoelectric applications, Scientific Reports 4, 6452 (2014) (ESI高被引论文).

[19]J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. Shi, X. F. Tang, and C. Uher, Enhanced thermoelectric performance of a quintuple layer of Bi₂Te₃, Journal of Applied Physics 116, 023706 (2014).

[20] L. Cheng, H. J. Liu*,J. Zhang, J. Wei, J. H. Liang, J. Shi, and X. F. Tang, Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of Bi₂Te₃, Physical Review B 90, 085118 (2014).