张丙凯

个人简介：

博士，副教授，硕士生导师，广东工业大学“青年百人计划”引进人才。主要从事能源材料科学研究，研究领域包括动力电池储能材料，高性能全固态电池的无机固态电解质。从原子尺度理解能源材料结构性质，建立结构-性能的联系；基于机理模型和数据模型的锂离子电池仿真。在Advanced Materials, Advanced Functional Materials, Nano Energy, Nano Lett, Energy Stor. Mater., Small等国际国内重要期刊发表SCI论文六十多篇。主持广东省自然科学基金和企业横向项目等。

联系方式：Email：zhangbk@gdut.edu.cn

研究方向：

通过第一性原理计算，分子动力学模拟，高通量计算，机器学习等多种材料计算手段，来理解、发现、设计、改性无机固体材料，对材料科学中核心的结构-性质关系建立深入的基础性理解，并通过数据挖掘发现和设计符合实际应用需求的新型材料。具体包括：固态电池固态电解质材料与界面的理解与设计、电池材料的理解与设计等。

学习和工作经历：

2005.09 至 2009.06, 中国石油大学(华东), 工学学士

2009.09 至 2014.09, 华中科技大学, 工学博士

2014.10 至 2019.05, 北京大学深圳研究生院和劳伦斯伯克利国家实验室，博士后

2019-06-至今, 广东工业大学, 轻工化工学院, 副教授

科研项目：

1. Zr基卤化物电解质组分调控和性能优化的理论和实验研究, 广东省自然基金青年提升，主持，2024

2. 无序结构固态电解质材料的计算和筛选，横向课题，主持，2024

3. 基于数据的锂离子电池衰减过程仿真模拟,横向课题，主持，2023

4. 高性能电池正极材料的理论计算和高通量筛选，横向课题，主持，2023

5. 氧硫复合固态电解质材料离子传输性能和稳定性的第一性原理和实验研究,广东省自然基金面上项目，主持，2022

6. LixMX6卤化物固态电解质材料离子电导和稳定性的理论和实验研究,广东省自然基金面上项目，主持，2022

发表论文：

(1) Reducing gases triggered cathode surface reconstruction for stable cathode electrolyte interface in practical all-solid-state lithium batteries. B Zhang, (First Author) Z He, S Zhang, Z, Yin, Z, Zhuo, W Zhao, M Zhang, F Pan, Z Lin*, J Lu*. Advanced Materials, 2305748, 2024.

(2) Surface reconstruction layer boosting interfacial stability of LiCoO2/Li6PS5Cl in bulk all-solid-state Li batteries, S Zheng, Z Li, Z He, W Zhao, C Liu, Z Lin, Z Zhuo, B Zhang*(Corresponding Author), J Mater. Chem. A, d3ta07630j, 2024.

(3) Motif-based exploration of halide classes of Li5M10.5M20.5X8 conductors using the DFT method: toward high li-ion conductivity and improved stability. Z Li, H Dong*, B Zhang*(Corresponding Author). ACS Appl. Mater. Interfaces, 15, 36, 42481–42489, 2023.

(4) LiMgPO4-coating-induced phosphate shell and bulk Mg-doping enables stable ultra-high-voltage cycling of LiCoO2 cathode. J Zhong, W Zhao, M Zhang, Z Yin, Z Zhuo, S Zhang, M Zhang, F Pan, B Zhang,* (Corresponding Author) Zhan Lin*. Small, 19: 2300802, 2023.

(5) Scalable lithiophilic/sodiophilic porous buffer layer fabrication enables uniform nucleation and growth for lithium/sodium metal batteries. SJ Zhang, J You, Z He, J Zhong, P Zhang, Z Yin, F Pan, M Ling, B Zhang,* (Corresponding Author) Z Lin*. Advanced Functional Materials 32 (28), 2200967, 16, 2022.

(6) Thiotetrelates Li2ZnXS4 (X = Si, Ge, and Sn) as potential li-ion solid-state electrolytes. J Zhong, B Zhang,* (Corresponding Author) F Pan, Z Lin* ACS Applied Materials & Interfaces 14 (7), 9203-9211, 2, 2022.

(7) Potential solid-state electrolytes with good balance between ionic conductivity and electrochemical stability: Li5–xM1–xMx′O4 (M = Al and Ga and M′ = Si and Ge). B Zhang,* (First Author) J Zhong, F Pan, Z Lin*. ACS Applied Materials & Interfaces 13 (51), 61296-61304, 6, 2021

(8) Tuning site energy by XO6 units in LiX2(PO4)3 enables high li ion conductivity and improved stability. Z He, B Zhang,*(Corresponding Author) J Zhong, Z Lin*, F Pan ACS Applied Materials & Interfaces 13 (43), 50948-50956, 4, 2021.

(9) Progress of lithium-ion transport mechanism in solid-state electrolytes B Zhang, (First Author) L Yang, S Li, F Pan. Journal of Electrochemistry 27 (3), 269, 2021.

(10) Balancing stability and Li-ion conductivity of Li10SiP2O12 for solid-state electrolytes with the assistance of a body-centered cubic oxygen framework. B Zhang,*(First Author) Z He, J Zhong, L Yang, Z Lin*, F Pan. Journal of Materials Chemistry A 9 (40), 22952-22957, 2021.

(11) Discovering a new class of fluoride solid-electrolyte materials via screening the structural property of Li-ion sublattice. B Zhang, (First Author) J Zhong, Y Zhang, L Yang, J Yang, S Li, LW Wang, F Pan, Z Lin*. Nano Energy 79, 105407, 2021

(12) Li-ion cooperative migration and oxy-sulfide synergistic effect in Li14P2Ge2S16−6xOx solid-state-electrolyte enables extraordinary conductivity and high stability. B Zhang, (First Author) M Weng, Z Lin, Y Feng, L Yang, LW Wang,* F Pan.* Small 16 (11), 1906374, 32, 2020.

(13) Achieving both high ionic conductivity and high interfacial stability with the Li2+xC1–xBxO3 solid-state electrolyte: design from theoretical calculations. B Zhang, (First Author) Z Lin, LW Wang,* F Pan.* ACS Applied Materials & Interfaces 12 (5), 6007-6014, 20, 2020.

(14) The stability and reaction mechanism of a LiF/electrolyte interface: insight from density functional theory. B Zhang, (First Author) Z Lin, H Chen, LW Wang,* F Pan.* Journal of Materials Chemistry A 8 (5), 2613-2617,13, 2020.

(15) Revealing cooperative Li-ion migration in Li_1+xAl_xTi_2−x(PO₄)₃ solid state electrolytes with high Al doping. B Zhang, (First Author) Z Lin, H Dong, LW Wang,* F Pan.* Journal of Materials Chemistry A 8 (1), 342-348, 42, 2020.

(16) Cooperative transport enabling fast Li-ion diffusion in Thio-LISICON Li10SiP2S12 solid electrolyte. B Zhang, (First Author) L Yang, LW Wang,* F Pan.* Nano Energy 62, 844-852, 45, 2020.