教育经历:
2014.09-2018.06湖南大学 材料成型与控制工程 学士
2018.09-2024.06西安交通大学 材料科学与工程 博士
工作经历:
2024.07- 宁夏大学材料与新能源学院
研究领域:
主要运用Vasp,Dmol3,Lammps等软件以及组内编写的蒙特卡洛程序进行基于电子结构(第一性原理)的多尺度模拟。
具体方向如下:
1、气体小分子在金属表面吸附(文章1、2、4、10)
2、通过H2O、H2S 在Al表面的分解制氢(文章3、5)
3、钠离子电池 (文章6、7、9)
4、光催化制氢 (文章8)
学术成果:
[代表性论文]:
1. Hai, P.; Wu, C., A comparative DFT study of the oxidation of Al crystals and nanoparticles. Physical Chemistry Chemical Physics, 2021,23, 24004-24015.
2. Hai, P.; Wu, C.; Ding, X., NOx on Al: The Unusual Adsorption Site Preference and the Attraction among Adsorbates. Journal of Physical Chemistry C, 2022, 126, 29, 11971–11980.
3. Hai, P.; Wu, C.; Ding, X., Coverage-dependent adsorption and dissociation of H2O on Al surfaces. Physical Chemistry Chemical Physics, 2023,25,13041-13048
4. Hai, P.; Wu, C.; Ding, X., Morphology evolution of aluminum surface in fluorine-containing environment. Physical Chemistry Chemical Physics, 2023, 25, 21045 - 21053.
5. Hai, P.; Wu, C.; Ding, X., H2 generation from H2S decomposition on Al. International Journal of Hydrogen Energy, 2024, 67, 1097-1105.
6. Gao, Y.; Hai, P.; Liu, L.; Yin, J.; Gan, Z.; Ai, W.; Wu, C.; Cheng, Y.; Xu, X., Balanced Crystallinity and Nanostructure for SnS2
Nanosheets through Optimized Calcination Temperature toward Enhanced Pseudocapacitive Na+ Storage. ACS Nano, 2022, 16, 14745–14753.
7. Yin, J.; Hai, P.; Gao, Y.; Gan, Z.; Wu, C.; Cheng, Y.; Xu, X., Theory-driven designed TiO2@MoO2 heterojunction: Balanced crystallinity and nanostructure toward desirable kinetics and high-rate sodium-ion storage. Nano Research, 2022,16,4941-4949.
8. Chen, L.; Hai, P.; Yang, Y.; Wu, C.; Hu, Y.; Rao, W.-F., Highly efficient photocatalytic hydrogen production by platinum modified ferroelectric SrBi4Ti4O15. Separation and Purification Technology, 2023, 309, 123058.
9. Gan, Z.; Liu, L.; Hai, P.; Li, L.; Gao, Y.; Yin Y.; Li, M.; Wu, C.; Ai, W.; Cheng, Y.; Xu, X., Unleash sodium storage potential of MoS2 nanosheets: Generating favorable kinetics from optimal crystallinity and elaborate structure. Journal of Power Sources, 2023, 570, 233028.
10. He, Y.; Hai, P.; Wu, C.*, Screening strain sensitive transition metals using oxygen adsorption. New Journal of Chemistry, 2022, 46,2178-2188.