个人简介

博士，讲师。长期从事二维材料及相关器件的表面和界面研究，在Chinese Chemical Letters、Energy & Environmental Materials、Applied Surface Science等期刊发表论文20余篇。

学习工作经历

[1] 2014.09-2018.06 重庆科技学院，能源化学工程，学士

[2] 2018.09-2025.06 西南大学，洁净能源科学，硕博连读

[3] 2023.09-2024.09 比利时荷语鲁汶大学，国家公派联合培养博士研究生

[4] 2025.09-至今 重庆科技大学，讲师

主要研究项目

[1]国家自然科学基金面上项目，22275149，负泊松比的二维纳米材料的预测、设计与研究，2023.01-2026.12，主研。

[2]重庆市自然科学基金面上项目，cstc2020jcyj-msxmX0009，新型二维半导体碳材料的预测、调控及其电子结构的理论研究，2020.08-2023.07，主研。

代表性研究成果

[1]X. H. Cai, Q. Yang, Y. Tong, L. Y. Liu, W. T. Zhang*, S. Zhang*, M. Wang*. AlO₂: A novel two-dimensional material with a high negative Poisson’s ratio for the adsorption of volatile organic compounds[J]. Chinese Chemical Letters,2025, 36: 109586.(SCI，1区)

[2]X. H. Cai, Q. Yang, Y. Tong, M. Wang*, S. Zhang*. Metal-modified s-C₃N₆as a potential superior sensing medium for effective capture of toxic waste gases CO, H₂S and SO₂in the iron and steel industry based on first-principles investigations[J]. Applied Surface Science, 2022, 606: 154947. (SCI，1区)

[3]X. H. Cai, Q. Yang, S. H. Zheng, M. Wang*. Net-C18: a predicted two-dimensional planar carbon allotrope and potential for an anode in Lithium ion battery[J]. Energy & Environmental Materials, 2021,4: 458-464. (SCI，1区)

[4]X. H. Cai, Q. Yang, M. Wang*. First-principles investigations of the geometric structures and electronic properties of pristine and Ag/Au-doped Janus MoSSe/C₆₀and WSSe/C₆₀heterostructures[J]. Applied Surface Science, 2022,575: 151660. (SCI，1区)

[5]X. H. Cai, Q. Yang, Y. Pang, M. Wang*. Adsorption of CO₂, CO, NH₃, NO₂and NO on g-C₃N₅surface by first-principles calculations[J]. Applied Surface Science, 2021,537: 174884. (SCI，1区)

[6]M. Wang*,X. H. Cai, Q. Yang, Y. Tong, S. Zhang*. The mechanism of carcinogenic heavy metal adsorption on a new monolayer AlP₅[J]. Applied Surface Science, 2023, 623: 157025. (SCI，2区)

[7]X. H. Cai, Q. Yang, Y. Tong, M. Wang*, S. Zhang*. G-C₃N₅nanotube as a promising candidate for adsorption and inactivation of aflatoxin B1: A first-principles study[J]. Surfaces and Interfaces, 2023, 38: 102868. (SCI，2区)

[8]X. H. Cai,Q. Yang, H. Qun, M. Wang*. First-principles calculations of molecular adsorption on the surface of two-dimensional BCOH[J]. Chemical Physics, 2022, 555: 111442. (SCI，3区)

[9]X. H. Cai, H. Y. Mei, M. Tang, Q. Hui, S. H. Zheng, Q. L. Song, M. Wang*. First-principles investigations of a new trigonal boron nitride[J]. Physica E: Low-dimensional Systems and Nanostructures, 2019, 114: 113573. (SCI，3区)

[10]X. H. Cai, Q. Yang, Y. Pang, M. Wang*. A theoretical prediction of a new silicon allotrope: tP36-Si[J]. Computational Materials Science, 2020, 173: 109441. (SCI，3区)

[11]Y. P. Wei, L. Y. Yi, S. Y Zhang, C. S. Ni*,X. H. Cai *, W. Sun*, W. H. Hu*. Ni-Mo nitride synthesized via mild plasma for efficient alkaline hydrogen evolution electrocatalysis[J]. Journal of Materials Chemistry A, 2024, 12: 8534-8542. (SCI，2区)