一、科研项目
参研2项国家自然科学基金,1项横向项目：
1. 国家自然科学基金面上基金（No. 11774044）：钴基钙钛矿氧化物异质结的界面结构、电子结构和磁有序。
2. 国家自然科学基金联合基金（No. U1930120）：高熵合金结构与储氢性能的中子衍射和理论研究。
3. 中广核横向项目：硅化铀燃料基本性能的理论研究。
二、学术论文
近五年在NPJ Comput. Mater.、Phys. Rev. Lett.、Phys. Rev. Appl.、Nat. Commun.、J. Alloy. Compd.等期刊发表约30篇学术论文，H因子10，引用400余次。
第一作者：
1. Ning Wang, Menglu Li, Haiyan Xiao, Zhibin Gao, Zijiang Liu, Xiaotao Zu, Sean Li and Liang Qiao. Band degeneracy enhanced thermoelectric performance in layered oxyselenides by first-principle calculations. NPJ Comput. Mater. 7, 18 (2021)
2. Ning Wang, Menglu Li, Haiyan Xiao, Xiaotao Zu and Liang Qiao. Layered LaCuOSe: A promising anisotropic thermoelectric material. Phys. Rev. Appl. 13, 024038 (2020)
3. Ning Wang, Menglu Li, Haiyan Xiao, Hengfeng Gong, Zijiang Liu, Xiaotao Zu and Liang Qiao. Optimizing the thermoelectric transport properties of Bi2O2Se monolayer via biaxial strain. Phys. Chem. Chem. Phys. 21, 15097 (2019)
4. Ning Wang, Chen Shen, Zhehao Sun, Haiyan Xiao, Hongbin Zhang, Zongyou Yin, and Liang Qiao. Ultra-low thermal conductivity and high thermoelectric performance of monolayer Bi2TeSe2. ACS Appl. Energy Mater. 5, 2564 (2022)
5. Ning Wang, Hengfeng Gong, Zhehao Sun, Chen Shen, Bingke Li, Haiyan Xiao, Xiaotao Zu, Dawei Tang, Zongyou Yin, Xiaoqiang Wu, Hongbin Zhang, and Liang Qiao. Boosting thermoelectric performance of two- dimensional transition metal dichalcogenides by complex cluster substitution: The role of octahedral Au6 clusters. ACS Appl. Energy Mater. 4,12163 (2021)
6. Ning Wang, Chen Shen, Zhehao Sun, Bingke Li, Haiyan Xiao, Xiaotao Zu, Hongbin Zhang, Zongyou Yin, and Liang Qiao. Electronic and mechanical properties of layered LaCuOX (X=S, Se and Te): first- principle calculations. ACS Appl. Energy Mater. 5, 6943 (2022)
7. (共一）Shan Feng, Ning Wang, Menglu Li, Haiyan Xiao, Zijiang Liu, Xiaotao Zu, Liang Qiao. The thermal and electrical transport properties of layered LaCuOSe under high pressure. J. Alloy. Compd. 157984 (2020)
8. Ning Wang and Lihua Xie. Theoretical explanation of spin- Hamiltonian parameters and local structure for the orthorhombic MnO42- clusters in K2CrO4:Mn6+ crystal. Mol. Phys. 115, 24 (2017)
9. Ning Wang, Lihua Xie and Chao Tu. Theoretical explanation of spin-Hamiltonian parameters and local structure for the orthorhombic MnO42- clusters in K2SO4:Mn6+ crystal. Int. J. Mod. Phys. B 13, 22 (2017)
10. 王宁和谢林华.晶体C3H7NO2:VO2+的自旋哈密顿参数及局域结构.光子学报. 101,46 (2017)
11. Ning Wang, Menglu Li and Haiyan Xiao. The Thermoelectric Performance of Layered LaOCuSe from First-principles Calculations, International Workshop on Laser and Ion Beams Interactions with Materials (LIBIM). 95-101 (2019)
通讯作者：
12. Hangbo Qi, Zhehao Sun, Ning Wang*, Guangzhao Qin, Hongbin Zhang, Chen Shen. Two-dimensional Al2I2Se2: A promising anisotropic thermoelectric material. J. Alloy. Compd. 160191,876 (2021)
13. Bingke Li, Yongsheng Yang, Zhehao Sun, Hangbo Qi, Zhihui Xiong, Keliang Wu, Huanxin Li, Kenan Sun, Xiuchan Xiao, Chen Shen and Ning Wang*. First-principles investigation on the significant anisotropic thermoelectric transport performance of Hf2Cl4 monolayer. J. Phys. Chem. C 126, 1 (2021)
14. Zheng Chang, Ke Liu, Zhehao Sun, Kunpeng Yuan, Shuwen Cheng, Yufei Gao, Xiaoliang Zhang, Chen Shen, Hongbin Zhang, Ning Wang* and Dawei Tang. First-principles investigation on the significant anisotropy and ultrahigh thermoelectric efficiency of a novel two-dimensional Ga2I2S2 at room temperature. Int. J. Extreme Manuf. 4,025001 (2021)
15. Qiang Fan, Jianhui Yang, Hangbo Qi, Linfeng Yu, Guangzhao Qin, Zhehao Sun, Chen Shen and Ning Wang*. Anisotropic thermal and electrical transport properties induced high thermoelectric performance in Ir2Cl2O2 Monolayer. Phys. Chem. Chem. Phys. 24, 11268 (2022)
16. Bingke Li, Yongsheng Yang, Hangbo Qi, Zhehao Sun, Fan Yang, Kexin Huang, Zhaoyang Chen, Bing He, Xiuchan Xiao, Chen Shen and Ning Wang*. Monolayer Sc2I2S2: An excellent n-type thermoelectric material with significant anisotropy. ACS Appl. Energy Mater. 5, 7230 (2022)
17. Hangbo Qi, Zhehao Sun, Chen Shen, Zheng Chang, Zishen Wang, Xiaoping Wang, Meng Zhang and Ning Wang*. High thermoelectric performance of monolayer Al2X2Se2 (X=Cl, Br, I) with strong anisotropy in lattice thermal conductivity. ACS Appl. Energy Mater. 5, 7371 (2022)
18. Shuwen Cheng, Yichuan He, Zheng Chang, Zhehao Sun, Xiaoliang Zhang, Dawei Tang, Gang Kevin Li, Ning Wang*, Chen Shen and Bo Jiang. Structural, elastic, phononic, optical and electronic properties investigation of two-dimensional XIS (X=Al, Ga, In) for photocatalytic water splitting. Int. J. Hydrogen Energ. 47, 41640 (2022)
19. Bingke Li, Chenghua Zhang, Zhehao Sun, Tao Han, Xiang Zhang, Jia Du, Jiexue Wang, Xiuchan Xiao and Ning Wang*. The potential thermoelectric material Tl3XSe4 (X = V, Ta, Nb): a first-principles study. Phys. Chem. Chem. Phys. 24, 24447 (2022)