讲师 硕士生导师
研究方向：材料的模拟计算
Email：snli@sxu.edu.cn
电话：
个人简介：
李世娜，女，1983年08月生，籍贯山东日照。2014年6月在北京科技大学获凝聚态物理专业博士学位，2010年6月在燕山大学获凝聚态物理专业硕士学位，2007年6月在曲阜师范大学获光信息科学与技术专业学士学位。2014年至今在山西大学理论物理研究所工作。主要从事新兴功能及器件等材料的理论模拟研究工作，在国际权威学术期刊Journal of Alloys and Compounds等发表SCI论文近20篇。参加基金项目多项，其中主持国家自然科学基金理论物理专项（11747045）等基金4项。2018年度获得山西省“三晋英才”青年优秀人才称号。
主要研究方向：
材料结构设计； 弹性力学等基本物性的第一性原理计算研究； 高压相变及相变机制的分析。
代表性论文：
1. Structural, electronic, and elastic properties of orthorhombic NaB3H8: A first-principles investigation, Shina Li，Hao Quan, Suye Yu, solid state commun. 299, 113653 (2019).
2. A first-principles study of Nb-doped NaAlH4 (001) surface, Suye Yu, Shina Li, Chubin Wan, and Xin Ju, solid state commun. 290, 7 (2019).
3. Mechanical and thermodynamic properties of plutonium dihydride, Jingjing Zheng, Weidong Li, Shina Li, Ping Zhang, and Baotian Wang, J. Alloy. Compd. 750, 258 (2018).
4. Tuning the hydrogen adsorption properties of Zn–based metal–organic frameworks: Combined DFT and GCMC simulations, Suye Yu, Shina Li, Xianhe Meng, Chubin Wan, and Xin Ju, J. Solid State Chem. 266, 31 (2018)
5. Elastic properties of cubic K2B12H12 from theoretical calculations，Shina Li，Shihang Li，Xin Ju，Journal of Alloys and Compounds, 695: 2916 (2017).
6. Effects of pressure on structural, electronic, and mechanical properties of α, β, and γ uranium, Huijie Zhang, Shina Li, Jingjing Zheng, Weidong Li, and Baotian Wang, Chin. Phys. B 26, 066104 (2017).
7. Synergistic effect of Li-Ti and K-Ti co-doping on the dehydrogenation properties of NaAlH4: an ab initio study，Yu Suye, Li Shina, Wan Chubin, Ju Xin, RSC Advances, 6(92): 89895-89900 (2016).
8. Pressure-induced phase transitions in LiBH4：Density functional theory calculations, Shina Li, Xin Ju, Chubin Wan, International Journal of Hydrogen Energy, 39,9330 (2014).
9. First-principles calculations of structural, elastic and electronic properties of Li2B12H12, Shina Li, Xin Ju, Chubin Wan, Journal of Alloys and Compounds, 593, 169 (2014).
10. Theoretical studies of elastic properties of orthorhombic LiBH4, Shina Li, Xin Ju, Chubin Wan,Computational Materials Science ,81, 378 (2014) .
