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导航 个人简介 学习经历 工作经历 研究方向 主要论文 主要著作 承担课题,个人信息 姓名： 李希波 部门： 理工学院 直属机构： 物理学系 性别： 男 职称： 副教授 学位： 博士 电子邮箱： lixibo@jnu.edu.cn 办公地址： 蒙民伟理工楼318 联系方式  Email: lixibo@jnu.edu.cn 个人简介  李希波，理工学院物理学系副教授，博士、硕士生导师。研究领域为凝聚态材料电子性质及表面特性，主要利用第一性原理计算分析材料的微结构及电子性质，以探索燃料电池、电解水催化剂、储能材料及新型光电材料的机理并提高其性能,并致力于基于第一性原理计算的方法发展及程序开发。相关研究成果在Nat. Energy, Nano Energy、Appl. Catal., B、J. Catal. 等 SCI 刊物发表学术论文40余篇，ESI 高引用文章 1 篇。目前4名硕士生在读，2名毕业。  每年招收硕士生2名，博士生1~2名，博士后不限。 学习经历 2012.9~2016.6  中国工程物理研究院-北京计算科学研究中心 凝聚态物理， 博士2009.9~2012.6  中国矿业大学（北京）光学，硕士2005.9~2009.6  聊城大学，物理学， 本科 工作经历 2016.9~2020.10 暨南大学物理学系   讲师2020.10~至今  暨南大学物理学系   副教授 研究方向 1.表界面物理特性及能源催化的理论计算研究2.基于第一性原理计算的方法发展及程序实现 主要论文 2022年1.Huang K, Lin C, Yu G,Du P., Xie X., T H., H T*, Li, X. B*, Lei M*& Wu, H*. Ru/Se‐RuO2 Composites via Controlled Selenization Strategy for Enhanced Acidic Oxygen Evolution[J]. Advanced Functional Materials, 2022: 2211102.2.Huang, B. Y., Tan, J. Q., Zhang, C. J., & Li, X. B*. An accurate and general local electronic structural descriptor for oxygen reduction on metal surface alloys: potential of breaking scaling relationship and application to PtZn ones with superior activity. Applied Surface Science, 2022: 153323. Yu G Q, Yin W J, Li X B*. Predicted superior hydrogen evolution activities of MoC via surface dopant.  International Journal of Hydrogen Energy, 2022, 47(28): 13664-13673. 4. Zhu Y N, Li X. B*, Zhang Q, Feng P*. Which Is Better for Hydrogen Evolution on Metal@ MoS2 Heterostructures from a Theoretical Perspective: Single Atom or Monolayer. ACS Applied Materials & Interfaces, 2022. 5.Liu Y, Tang B W, Wen B, Li X. B, et al. Non-metal atom modified SnS2 sheet for CO2 photoreduction with significant activity and selectivity improvements: A first-principles study. Applied Surface Science, 2022, 584: 152618. 5.6. Chen Y, Zhang H, Wen B, Li X. B, et al. The Role of Permanent and Induced Electrostatic Dipole Moments for Schottky Barriers in Janus MXY/Graphene Heterostructures: a First Principles Study. Dalton Transactions, 2022.7. Tan H J, Zhang H H, Li X B, et al. Crucial Role of Crystal Field on Determining the Evolution Process of Janus MoSSe Monolayer: A First-Principles Study[J]. The Journal of Physical Chemistry Letters, 2022, 13(40): 9287-9294.8. Zhang H, Deng D, Zou D F, Li X B, et al. The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study[J]. Dalton Transactions, 2022, 51(42): 16102-16110.2021年1.Huang B Y, Yu G Q, Yin W J, Zheng F P*, Li X. B*. Electronic structural descriptors for hydrogen evolution and superior catalytic activity of graphene based structures. Applied Surface Science, 2021, 569: 151009. 2. Yuan X R#, Chen S M#, Li J L*, Xie J. Yan G H, Liu B T, Li X. B*, Li R, Pan L K, Mai W J*. Understanding the improved performance of sulfur‐doped interconnected carbon microspheres for Na-ion storage. Carbon Energy, 2021, 3(4): 615-626.3. Yu G Q, Huang B Y, Chen S M, Liao J W, Yin W J, Teobaldi G, Li X. B*. The combined role of faceting and heteroatom doping for hydrogen evolution on a WC electrocatalyst in aqueous solution: a density functional theory study[J]. The Journal of Physical Chemistry C, 2021, 125(8): 4602-4613. 4. Liao J W, Lu X, Huang B Y, Yu G Q, Li X. B*. Hydrogen evolution on different facets of δ1-MoN and δ3-MoN: Considering the adsorbed oxygen and hydroxyl by Surface Pourbaix diagrams. International Journal of Hydrogen Energy, 2021, 46(13): 9077-9086.5. Yin W, Tan H, Ding P, Wen B, Li X. B, et al. Recent Advances in Low-Dimensional Janus Materials: a Theory and Simulation Perspective. Materials Advances, 2021.6. Yin W J, Liu Y, Wen B, Li X. B, et al. The unique carrier mobility of monolayer Janus MoSSe nanoribbons: a first-principles study. Dalton Transactions, 2021, 50(29): 10252-10260. 7.Zhao Z, Hou T, Wu N, …, Li X. B, et al. Polycrystalline few-Layer graphene as a durable anticorrosion film for copper. Nano Letters, 2021, 21(2): 1161-1168.2020年1.Li J, Song J, Huang B Y, Liang B F, …, Jin Y S*, Li X. B*, Meng H*. Enhancing the oxygen evolution reaction performance of NiFeOOH electrocatalyst for Zn-air battery by N-doping. Journal of catalysis, 2020, 389: 375-381.2.Zheng F#, Li X B#, Tan P, et al. Emergent superconductivity in two-dimensional NiTe 2 crystals. Physical Review B, 2020, 101(10): 100505.3. Xie J, Li J*, Li X, Lei H, Zhuo W C, Li X B, et al. Ultrahigh “relative energy density” and mass loading of carbon cloth anodes for K-ion batteries. CCS Chemistry, 2021, 3(2): 791-799.4.Yin W J, Wen B, Ge Q, Li X. B, et al. Activity and selectivity of CO2 photoreduction on catalytic materials. Dalton Transactions, 2020, 49(37): 12918-12928.2019年1. Li J, Zhuang N, Xie J, Li X, Zhuo W, Wang H, Na J B, Li X. B*, Yamauci Y*, Mai W J*. K‐ion storage enhancement in Sb2O3/reduced graphene oxide using ether‐based electrolyte. Advanced Energy Materials, 2020, 10(5): 1903455. 2. Wang Z#, Luo H#, Lin R, Li X. B*, Mai W J*. Theoretical calculation guided electrocatalysts design: Nitrogen saturated porous Mo2C nanostructures for hydrogen production. Applied Catalysis B: Environmental, 2019, 257: 117891.3. Yu G Q, Huang B Y, Chen X, Wang D, Zheng F P, Li X. B*. Uncovering the surface and phase effect of molybdenum carbides on hydrogen evolution: a first-principles study. The Journal of Physical Chemistry C, 2019, 123(36): 21878-21887. 4. He Q, Chen X*, Chen S, Liu L, Zhou F, Li X. B,Wang G. Electrochemical hydrogen evolution at the interface of monolayer VS2 and water from first-principles calculations. ACS applied materials & interfaces, 2018, 11(3): 2944-2949.5. Huang Q, Qiu Y, Luo H, Yuan Y, Li X. B, Wang Z*, Mai W*. p-Type NiO modified BiVO4 photoanodes with enhanced charge separation and solar water oxidation kinetics. Materials Letters, 2019, 249: 128-131.2018年1.Li X B*, Cao T, Zheng F, Chen X*. Computational screening of electrocatalytic materials for hydrogen evolution: platinum monolayer on transitional metals. The Journal of Physical Chemistry C, 2018, 123(1): 495-503. 2. Guo P#, Wu J#, Li X B#, Luo J, Lau W M, Liu H*, Sun X L*, Liu L M*. A highly stable bifunctional catalyst based on 3D Co (OH) 2@ NCNTs@ NF towards overall water-splitting. Nano Energy, 2018, 47: 96-104. 3. Chen S, Chen X*, Wang G, Liu L, He Q, Li X B,,Cui N. Reaction mechanism with thermodynamic structural screening for electrochemical hydrogen evolution on monolayer 1T′phase MoS2. Chemistry of Materials, 2018, 30(15): 5404-5411. 2017年1.Li J#, Yin H M#, Li X B#, Okunishi E#, Shen Y L, Tang Z K, …, Liu L M*, Luo J*, Ding Y*. Surface evolution of a Pt–Pd–Au electrocatalyst for stable oxygen reduction. Nature Energy, 2017, 2(8): 1-9. 2. Yin W J, Krack M, Li X B, et al. Periodic continuum solvation model integrated with first-principles calculations for solid surfaces. Progress in Natural Science: Materials International, 2017, 27(2): 283-288.3.Liu X, Xi W, Li C, Li X B, et al. Nanoporous Zn-doped Co3O4 sheets with single-unit-cell-wide lateral surfaces for efficient oxygen evolution and water splitting. Nano Energy, 2018, 44: 371-377.2016年及以前1. Lv Q#, Sun H#, Li X B#, et al. Ultrahigh capacitive performance of three-dimensional electrode nanomaterials based on α-MnO2 nanocrystallines induced by doping Au through Å-scale channels. Nano Energy, 2016, 21: 39-50. 2. Cao T, Li X B, Liu L*, Zhao J*. Electric field and strain tunable electronic structures in monolayer Black Phosphorus. Computational Materials Science, 2016, 112: 297-303.3. Li X B, Guo P, Cao T F, Lau W M, Liu L M*. Structures, stabilities and electronic properties of defects in monolayer black phosphorus. Scientific reports, 2015, 5(1): 1-11.4. Li X B, Guo P, Zhang Y N, Peng R F, Zhang H, Liu L M*. High carrier mobility of few-layer PbX (X= S, Se, Te). Journal of Materials Chemistry C, 2015, 3(24): 6284-6290.5. Tang Z K, Li X B, Zhang D Y, Zhang Y N, Liu L M*. Two-dimensional square-pyramidal VO 2 with tunable electronic properties. Journal of Materials Chemistry C, 2015, 3(13): 3189-3197. 6. Li X B, Guo P, Wang D, Zhang Y, Liu L M*. Adaptive cluster expansion approach for predicting the structure evolution of graphene oxide[J]. The Journal of Chemical Physics, 2014, 141(22): 224703.7.He Z H, Li X B, Zhu W J, Liu L M*, Ji G F.. Effect of water on gas explosions: combined ReaxFF and ab initio MD calculations. RSC Advances, 2014, 4(66): 35048-35054.8. He Z H, Li X B, Liu L M*, Zhu W*. The intrinsic mechanism of methane oxidation under explosion condition: A combined ReaxFF and DFT study. Fuel, 2014, 124: 85-90.9. Liu J, Li X B, Wang D, Liu H, Peng P*, Liu L M*. Single-layer Group-IVB nitride halides as promising photocatalysts. Journal of Materials Chemistry A, 2014, 2(19): 6755-6761.10. Wei X L, Zhang H, Guo G C, Li X B, Lau W M, Liu L M*. Modulating the atomic and electronic structures through alloying and heterostructure of single-layer MoS2. Journal of Materials Chemistry A, 2014, 2(7): 2101-2109.11. Liu J, Li X B, Wang D, Lau W M, Peng P*, Liu L M*. Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting. The Journal of Chemical Physics, 2014, 140(5): 054707.12. Liu J, Li X B, Zhang H, Zhang H, Zhang H b, Peng P*, Liu L M* . Electronic structures and optical properties of two-dimensional ScN and YN nanosheets. Journal of Applied Physics, 2014, 115(9): 093504.13. Zhang H, Li X B, Liu L M*. Tunable electronic and magnetic properties of WS2 nanoribbons[J]. Journal of Applied Physics, 2013, 114(9): 093710. 承担课题 1. 国家自然科学基金面上项目 精准表面结构和活性预测的自适应集团展开方法的发展及其在合金中的应用 2022.1-2025.122. 国家自然科学基金青年项目 过渡金属碳、氮化合物析氢反应机理与性能优化的第一性原理研究2018.1-2020.12   3. 广东省基础于应用基础研究 铂基表面合金氧还原燃料电磁催化剂的高通量计算及理论研究2021.1-2023.124. 广州市科技计划项目三元非贵金属表面合金氧还原催化剂理论研究及设计 2021.4-2023.35. 中央高校基本科研业务费（创新基金）2017.9-2020.126. 中央高校基本科研业务费“学科建设优秀青年骨干项目”2022.1-2022.127. 广州市真空薄膜技术与新能源材料重点实验室开放课题    2021.7-2022.68. 暨南大学人才引进配套经费                2016.9-2019.9  讲授课程 主讲课程：半导体器件、计算机在材料科学中的应用、电工技术实验、电子工艺实习等