本人资料
办公地址：曲阜师范大学实验楼C104室（墨子像）
电子邮件：yiwc@qfnu.edu.cn
个人主页：https://www.researchgate.net/profile/Wencai_Yi
教育背景
2013.09-2018.06 吉林大学理论化学研究所 理学博士 导师：刘靖尧教授
2016.12-2017.12 California State University 访问**** 导师：苗茂生教授
2009.09-2013.07 天津师范大学化学院 理学学士 导师：杨华副教授
工作经历
2018年07月-至今 曲阜师范大学物理工程学院 讲师（硕士生导师）
（兼职管理物理工程学院网站，就是你当前浏览的这个）
教学任务
主要承担理工科本科生大学物理和大学物理实验教学工作。
研究兴趣
采用第一性原理计算和结构搜索算法，探究低维材料微观晶体结构和电子结构性质。通过结构搜索，挖掘材料微观结构与宏观性质之间的关系，并基于此设计新型低维多功能材料。目前已在J. Mater. Chem. A, J. Phys. Chem. Lett, J. Mater. Chem. C，Nanoscale等国际著名期刊发表论文41篇。研究兴趣包含：
1. 新型低维材料结构搜索算法的深度开发；
2. 新型低维亚稳材料微观结构及稳定性的理论探究；
3. 低维功能材料催化性能及催化反应微观机理的理论研究;
4. 含能材料微观晶体结构探究。
科研项目
[1]国家自然科学青年科学基金项目 《五唑阴离子金属高能化合物常压晶体结构及稳定性的第一性原理研究》 2020年01月—2022年12月 项目编号：**主持；
[2] 山东省自然科学博士基金《基于掺杂提高磷烯结构稳定性及气敏性质的理论研究》 2019年07月—2022年06月 项目编号：ZR2019BA010主持；
[3] 国家自然科学基金面上项目《石墨烯等双层转角系统中莫尔势对电子结构和电子关联效应调制的理论》 2020年01月—2023年12月项目编号：**参与；
[4] 山东省自然科学基金面上项目 《利用高温高压技术对金刚石内 NV 中心的可控制备及调控机制研究》2019年07月—2022年06月项目编号：ZR2019MA054参与；
曾获奖励
2018年吉林大学优秀博士学位论文; 2018年第三十二届研究生“精英杯”学术成果大奖赛一等奖; 2018年吉林大学优秀毕业生称号; 2017年吉林大学研究生学术业绩奖学金; 2017年度研究生国家奖学金; 2017年度唐敖庆化学奖学金; 2017年吉林大学优秀研究生干部; 2017 年吉林大学第十届博士研究生学术论坛二等奖; 2017年吉林大学优秀研究生二等奖学金; 2016年第30届中国化学学术年会优秀墙报奖; 2015年吉林大学优秀研究生称号; 2015年吉林大学优秀研究生二等奖学金; 2014年吉林大学优秀研究生一等奖学金; 2014年吉林大学优秀研究生称号
软件著作权
[1] VASP快速使用辅助软件（简称qvasp，原始取得）2018年12月19日 登记号：2019SR**（商用请联系授权）
科研论文
2019-Now (Qufu Normal University)
1. Yi, W. C.,Zhao L., Chen X.,Liu X.B., Zheng Y. H. and Miao Maosheng.* Packing high-energy together: Binding the power of pentazolate and high-valence metals with strong bonds. Mater. Des.. 2020, 193, 108820.
2. Yi, W. C.*, Tang G.*, Chen, X.,Yang B. C.,Liu X. B.*,qvasp: A Flexible Toolkit for VASP Users in Materials Simulations, Comput. Phys. Commun., 2020, 257, 107535.
3. Yi, W. C.*,Chen, X., Wang, Z. X., ... Yang, B. C. andLiu, X. B.* A novel two-dimensional δ-InP₃ monolayer with high stability, tunable bandgap, high carrier mobility, and gas sensing of NO₂. J. Mater. Chem. C.2019,7, 7352-7359.
4.Yi, W. C.*, Zhao K, Wang Z, et al. Stabilization of the High-Energy-Density CuN₅ Salts under Ambient Conditions by a Ligand Effect. ACS Omega, 2020,5(11), 6221-6227.
5. Yi, W. C.*, Jiang X. G., Yang T., Yang B. C., Liu Zhen* and Liu X. B.*, Crystalline Structures and Energetic Properties of Lithium Pentazolate under Ambient Conditions. ACS Omega, 2020, 5, 38, 24946–24953.
6. Ye Y,Yi, W. C., (共一) Liu W.,Zhou Y., Xi G. C. et al. Remarkable Surface-Enhanced Raman Scattering of Highly Crystalline Monolayer Ti₃C₂ Nanosheets. Sci. China Mater., 2020, 63(5), 794-805.
7. Du, H. Y., Yang, W., Yi, W. C.*, Sun, Y. H., Yu, N. S., Wang, J. Oxygen-plasma-assisted Enhanced Acetone-sensing Properties of ZnO Nanofibers by Electrospinning, ACS Appl. Mater. Interfaces., 2020, 12, 20, 23084–23093.
8.Fei, G., Duan, S., Zhang, M., Ren, Z., Cui, Y., Chen, X.*, Liu, Y., Yi, W. C.*, Liu, X. B.*, Predicted stable Li₅P₂ and Li₄P at ambient pressure: novel high-performance anodes for lithium-ion batteries, Phys. Chem. Chem. Phys., 2020, 22(34), 19172-19177.
9. Cui Y. F., Duan S., Chen X.*, Yang M. M., Yang B. C., Yi, W. C.*, Liu X. B., Prediction of enhanced thermoelectric performance in two-dimensional black phosphorus nanosheets, Vaccum, 2020, 21, 109790.
10. Guan H. M., Yi, W. C., Li T., Li Y. H., Li J. F., Bai H., Xi G. C.. Low temperature synthesis of plasmonic molybdenum nitride nanosheets for surface enhanced Raman scattering. Nat. Commun., 2020, 11, 3889.
11. Du R. F., Yi, W. C., Li W. T., Yang H. F., Bai H., Xi G. C..Quasi-Metal Microwave Route to MoN and Mo₂C Ultrafine Nanocrystalline Hollow Spheres as Surface Enhanced Raman Scattering Substrates, ACS Nano, 2020, 14, 10, 13718–13726.
12. Chen X.*, Duan S., Yi W. C., Singh D. J.,Guo J. G.* and Liu X. B.*, Enhanced thermoelectric performance in black phosphorus nanotubes by band modulation through tailoring nanotube chirality, Small, 2020， 16(28), **.
13. Li, Y., Bai, H., Zhai, J., Yi, W. C.,Li, J., Yang, H.andXi, G. C. Alternative to Noble Metal Substrates: Metallic and Plasmonic Ti3O5 Hierarchical Microspheres for Surface Enhanced Raman Spectroscopy. Anal. Chem., 2019, 91(7), 4496-4503.
14. Duan, S., Cui, Y., Chen, X., Yi, W. C.,Liu, Y. X. andLiu, X.B. Ultrahigh Thermoelectric Performance Realized in Black Phosphorus System by Favorable Band Engineering through Group VA Doping. Adv. Funct. Mater., 2019, **.
15. Hu, L., Yi, W. C., Rao, T., Tang, J., Hu, C., Yin, H., ... & Li, T. (2020). Two-dimensional type-II gC 3 N 4/SiP–GaS heterojunctions as water splitting photocatalysts: first-principles predictions. Phys. Chem. Chem. Phys., 22(27), 15649-15657.
16. Yang, M., Zhu, H., Yi, W. C., Li, S., Hu, M., Hu, Q. andSu, T. C. Electrical transport and thermoelectric properties of Te–Se solid solutions. Phys. Lett. A, 2019, 383(22), 2615-2620.
17. Hu, L., Yi, W. C., Tang, J., Rao, T., Ma, Z., Hu, C.andLi, T. Planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes as nonlinear optical materials: first-principles simulation. RSC Adv., 2019, 9(44), 25336-25344.
18. Tian, Z., Bai, H., Chen, C., Ye, Y., Kong, Q., Li, Y.,Yi, W. C., Xi, G. C. Quasi-metal for highly sensitive and stable surface enhanced Raman scattering. iScience, 2019.
19. Zhao L., Liu W., Yi W. C.,Mao S. M., et al. Nano-makisu: highly anisotropic two-dimensional carbon allotropes made by weaving together nanotubes. Nanoscale, 2020, 12(1): 347-355.
20. Ye Y, Chen C, Bai H,... Yi, W. C.,Xi G. C. et al. Quasi-metallic Tungsten Oxide Nanodendrites with High Stability for Surface-Enhanced Raman Scattering. Cell Reports Physical Science, 2020: 100031.


2013-2019(Jilin University)
1. Yi, W. C.; Liu, W.; Botana, J.; Liu, J. Y.; Miao, M. S., Microporosity as a new property control factor in graphene-like 2D allotropes. J. Mater. Chem. A 2018, 6(22), 10348-10353.
2. Yi, W. C.; Liu, W.; Botana, J.; Zhao, L.; Liu, Z.; Liu, J. Y.; Miao, M. S., Honeycomb Boron Allotropes with Dirac Cones: A True Analogue to Graphene. J. Phys. Chem. Lett. 2017, 8 (12), 2647-2653.
3.Yi, W. C.; Hu, T.; Su, T.; Islam, R.; Liu, J. Y.; Miao, M. S., CNH monolayer: a direct gap 2D semiconductor with anisotropic electronic and optical properties. J. Mater. Chem. C 2017, 5 (33), 8498-8503
4. Yi, W. C.; Liu, W.; Zhao, L.; Islam, R.; Miao, M. S.; Liu, J. Y., Asymmetric passivation of edges: a route to make magnetic graphene nanoribbons. RSC Adv. 2017, 7 (45), 27932-27937.
5. Zhao L., Yi, W. C. ;(共一) Botana J.; Gu F. L.; Miao M. S., Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility. J. Phys. Chem. C. 2017, 121(21), 28520–28526
6. Bai, H.; Yi, W. C.; Li, J.; Xi, G. C.; Li, Y.; Yang, H.; Liu, J. Y., Direct growth of defect-rich MoO₃-xultrathin nanobelts for efficiently catalyzed conversion of isopropyl alcohol to propylene under visible light. J. Mater. Chem. A 2016, 4 (5), 1566-1571.
7. Bai, H.; Yi, W. C.; Liu, J. Y.; Lv, Q.; Zhang, Q.; Ma, Q.; Yang, H.; Xi, G. C., Large-scale synthesis of ultrathin tungsten oxide nanowire networks: an efficient catalyst for aerobic oxidation of toluene to benzaldehyde under visible light. Nanoscale 2016, 8 (28), 13545-51.
8. He C. Y.; Bai. H.; Yi, W. C.; Liu J. Y.; Li X. S.; Li X., Xi G. C. Highly sensitive and stable SERS substrate using hybrid tungsten dioxide/carbon ultrathin nanowire beams. J. Mater. Chem. C 2018.
9. Zhang, Q.; Li, X.; Ma, Q.; Zhang, Q.; Bai, H.; Yi, W. C.; Liu, J. Y.; Han, J.; Xi, G. C., A metallic molybdenum dioxide with high stability for surface enhanced Raman spectroscopy. Nat. Commun. 2017, 8, 14903.
10. Bai, H., Liu, W., Yi, W. C., Li, X., Zhai, J., Li, J., ... & Xi, G. Metallic carbide nanoparticles as stable and reusable substrates for sensitive surface-enhanced Raman spectroscopy. Chem. Commun., 2018. 54(77), 10843-10846.
11. Zhang, Q., Li, X., Yi, W. C., Li, W., Bai, H., Liu, J., & Xi, G. (2017). Plasmonic MoO2 nanospheres as a highly sensitive and stable non-noble metal substrate for multicomponent surface-enhanced Raman analysis. Anal. Chem., 89(21), 11765-11771.
12. Li, J. F.; Bai, H.; Yi, W. C.; Liu, J. Y.; Li, Y. H.; Zhang, Q.; Yang, H. F.; Xi, G. C., Synthesis and facet-dependent photocatalytic activity of strontium titanate polyhedron nanocrystals. Nano Res. 2016, 9 (5), 1523-1531.
13. Huai, L. Y.; He, C. Z.; Wang, H.; Wen, H.; Yi, W. C.; Liu, J. Y., NO dissociation and reduction by H₂ on Pd(111): A first-principles study. J. Catal. 2015, 322, 73-83.
14. Huai, L. Y.; Wang, H.; He, C. Z.; Wen, H.; Yi, W. C.; Liu, J.Y., Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H₂ on Pt(100): A First-Principles Study. J. Phys. Chem. C 2015, 119 (44), 24819-24826.
15. Liu, J. J.; Fang, S.; Wang, Z. X.; Yi, W. C.; Tao, F. M.; Liu, J. Y., Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study. Environ. Sci. Technol. 2015, 49 (22), 13112-13120.
16. Jin X.；Huai L. Y.; Wen H.; Yi, W. C.; Liu J. Y. Reduction of NO by CO on the Co₃O₄(110)-B and CoO(110) surfaces: A First-principles Study.J. Phys. Chem. C 2018, 123(3): 1770-1778.
17. Bing Q. M.; Liu W.; Yi, W. C.; Liu J. Y. Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid. J. Power Sources 2019, 413, 399-407.