【团队介绍】

       围绕国家航空航天领域、核能领域和新能源领域等国家重大战略对无机非金属新型陶瓷材料的需求，采用原子尺度理论计算和材料信息学技术，开展新型陶瓷材料“成分-结构-化学键”调控、新材料设计本构关系和多尺度缺陷与性能关系的基础研究。

【重点研究领域】

1. 热障/环境障陶瓷涂层材料；

2. 新型催化材料；

3. 基于材料基因和机器学习的新材料设计。

【团队介绍】

刘斌，上海大学材料科学与工程学院教授、博士生导师，上海高校特聘教授。目前承担国家自然科学基金、国家重点研发计划等多项课题，近年来在Acta Mater., J. Mater. Chem A, J. Euro. Ceram. Soc.等期刊发表SCI论文130余篇，SCI引用2700次，H因子29，申请/授权专利7项。此外担任《J. Am. Ceram. Soc.》期刊副主编，《J. Mater. Sci. Technol.》和《J. Adv. Ceram》等期刊编委，中国硅酸盐学会特种陶瓷分会理事。

李亦然，上海大学材料科学与工程学院，硕士生导师。目前承担国家自然科学基金青年基金一项，近年来在J. Mater. Chem A, J. Euro. Ceram. Soc.等期刊发表SCI论文20余篇，SCI引用300余次，H因子10。

【代表性论文】

[1] Li J, Ge R, Lan P, et al. In situ phase transition induced TM–MoC/Mo 2 C (TM= Fe, Co, Ni, and Cu) heterostructure catalysts for efficient hydrogen evolution, Journal of Materials Chemistry A, 2022, 10: 10493-10502.

[2] Fan Y, Lai M, Zhao J, et al. Theoretical investigation of formation and diffusion mechanisms for point defects in ytterbium and lutetium silicates, Journal of the American Ceramic Society, 2022, 105(1): 653-667.

[3] Zhang C, Fan Y, Zhao J, et al. Corrosion resistance of nonstoichiometric gadolinium zirconate coatings against CaO-MgO-Al2O3-SiO2 silicate, Journal of the European Ceramic Society, 2021, 41(6): 3687-3695.

[4] Liu B, Zhao J, Liu Y, et al. Application of high-throughput first-principles calculations in ceramic innovation, Journal of Materials Science & Technology, 2021, 88: 143-157.

[5] Liu Y, Jia D, Zhou Y U, et al. Zn0. 1Ca0. 1Sr0. 4Ba0. 4ZrO3: A non-equimolar multicomponent perovskite ceramic with low thermal conductivity, Journal of the European Ceramic Society, 2020, 40(15): 6272-6277.

[6] Liu Y, Jia D, Zhou Y, et al. Discovery of ABO4 scheelites with the extra low thermal conductivity through high-throughput calculations, Journal of Materiomics, 2020, 6(4): 702-711.

[7] Li, Y; Li, N; Zhao, S, et al. Strain-tunable electronic properties and lithium storage of 2D transition metal carbide (MXene) Ti2CO2 as a flexible electrode, Journal of Materials Chemistry A, 2020, 8(2): 760-769.

[8] Li, Y; Wang, J; Wang, J, Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu), Journal of the European Ceramic Society, 2020, 40(7): 2658-2666.

[9] Liu B, Liu Y, Zhu C, et al. Advances on strategies for searching for next generation thermal barrier coating materials, Journal of Materials Science & Technology, 2019, 35(5): 833-851.

[10] Yang L, Zhu C, Sheng Y, et al. Investigation of mechanical and thermal properties of rare earth pyrochlore oxides by first‐principles calculations, Journal of the American Ceramic Society, 2019, 102(5): 2830-2840.