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ResumeSocial positionResearch1) Computational Materials Science 2) Ultra-high temperature ceramics and their composite materials 3) Advanced/functional ceramics such as MAX, MXene, piezoelectric ceramics, etc. Open CourseResearch projectThesis[1] H. Li, Y. Qiu, D. Gao, Y. Wang, T. Zhou, T. Gao, Z. Xie, K. Xu, P. Yu. First-principles study on the adsorption and lithium storage capacities of Hf3C2 and Hf3C2T2(T = O, F, S) MXenes. FlatChem, 2023, 41: 100539. [2] H. Li, Q. Wu, T. Zhou, Y. Wang, Y. Qiu, K. Xu, X. Zhao, Z. He, P. Yu. Elastic, piezoelectric, and electronic properties of K1−xMxNbO3 (M = Li, Na): A first-principles study. AIP Advances, 2023, 13(7): 075012. [3] H. Li, A. Li, D. Zhang, Q. Wu, P. Mao, Y. Qiu, Z. Zhao, P. Yu, X. Su, M. Bai. First-principles study on the structural, electronic, and lithium storage properties of Ti3C2T2 (T = O, F, H, OH) MXene. ACS Omega, 2022, 7(44): 40578-40585. [4] H. Li, L. Wang, L. Xu, A. Li, P. Mao, Q. Wu, Z. Xie. First-principles study on the structural, elastic, piezoelectric and electronic properties of (BaTiO3, LiTaO3)-modified KNbO3. Materials Today Communications, 2021, 26: 102092. [5] 罗至利, 李辉, 王磊, 刘开平, 刘哲, 宋佳凡, 彭艺杰. ZrAl4C4、Zr2Al4C5和Zr3Al4C6结构、弹性和电子性质对比. 科学技术与工程, 2019, 19(32): 99-104. [6] 刘哲, 李辉, 赵鹏, 王磊, 罗至利, 刘阳, 张冰慧. Ti5Al2C3与Ti2AlC、Ti3AlC2结构、弹性和电子性质的第一性原理对比研究. 人工晶体学报, 2019, 48(5): 384-839+845. [7] H. Li, Z. Luo, Z. Liu, G. Sun, Z. Wang. A first-principles high-pressure study of Hf2PX (X=B, C, N). Solid State Communications, 2017, 259: 45-49. [8] 李辉, 刘哲, 罗至利, 孙国栋, 俞鹏飞. ZrB2-SiC挥发相图的热力学计算研究. 化工新型材料, 2017, 45(9): 178-180. [9] H. Li, Z. Wang, G. Sun, P. Yu, W. Zhang. First-principles study on the structural, elastic and electronic properties of Ti2SiN under high pressure. Solid State Communications, 2016, 237-238: 24-27. [10] H. Li, Q. Zeng, L. Zhang, G. Sun, J. Deng. First-principles study on the structural and electronic properties of clean and atomic oxygen adsorbed ZrC(001) surface. Comput. Mater. Sci., 2015, 101(0): 115-119. [11] H. Li, G.D. Sun, J.L. Deng, W.X. Zhang, L. Xu, W.Z. Jiang, Y.K. Feng, K.F. Li. Phonon and electronic properties of Ti2SiC from first-principles calculations. Solid State Communications, 2015, 204(0): 37-40. [12] 李辉, 刘哲, 罗至利, 余鸿洋, 王振军, 孙国栋, 俞鹏飞. Ti2SiC在高压下结构、弹性和电子性质的第一性原理研究. 材料导报, 2016, 30(6): 145-148. [13] 李辉, 罗至利, 刘哲, 韩旭旭, 余鸿洋, 孙浩东, 夏晓宇, 王世豪. Ti3AC2(A=Si, Al)结构、弹性和电子性质的第一性原理研究. 硅酸盐通报, 2016, 35(8): 2341-2345. [14] 李辉, 罗至利, 刘哲, 夏晓宇, 韩旭旭, 余鸿洋, 孙国栋. 高压对Ti2AlX(X=C, N)结构、弹性和电子性质的影响. 人工晶体学报, 2016, 45(10): 2406-2411. [15] 李辉, 刘哲, 罗至利, 夏晓宇, 韩旭旭, 高雨晴, 王凌凯, 孙浩东, 王世豪. 高压下Ti2AlC结构、弹性和电子性质的第一性原理研究. 硅酸盐通报, 2016, 35(12): 3905-3909. [16] 李辉, 王振军, 罗至利, 刘哲, 孙国栋, 雷奔张申. HfC-SiC在高温下的氧化热力学研究. 材料导报, 2016, 30(S2): 204-208. [17] 李辉, 孙国栋, 邓娟利, 李恺峰, 纪道朋, 赖金宇. 碳化铪氧化的热力学研究. 材料导报, 2015, 29(9): 136-140. [18] H. Li, L.T. Zhang, Q.F. Zeng, K. Guan, K.Y. Li, H.T. Ren, S.H. Liu, L.F. Cheng. Structural, elastic and electronic properties of transition metal carbides TMC (TM=Ti, Zr, Hf and Ta) from first-principles calculations. Solid State Communications, 2011, 151(8): 602-606. [19] H. Li, L.T. Zhang, Q.F. Zeng, H.T. Ren, K. Guan, Q.M. Liu, L.F. Cheng. First-principles study of the structural, vibrational, phonon and thermodynamic properties of transition metal carbides TMC (TM = Ti, Zr and Hf). Solid State Communications, 2011, 151(1): 61-66. [20] H. Li, L.T. Zhang, Q.F. Zeng, L.F. Cheng. Thermodynamic calculation of HfB2 volatility diagram. J. Phase Equilib. Diff., 2011, 32(5): 422-427. [21] H. Li, L.T. Zhang, Q.F. Zeng, J.J. Wang, L.F. Cheng, H.T. Ren, K. Guan. Crystal structure and elastic properties of ZrB compared with ZrB2: A first-principles study. Comput. Mater. Sci., 2010, 49(4): 814-819. [22] 李辉,张立同,曾庆丰,徐永东,成来飞,吴守军,董宁. 2D C/SiC复合材料的可靠性评价. 复合材料学报, 2007, 24(4): 95-100. Technological AchievementsHonor RewardWork experience |