任 元

任元，男，博士，副教授，硕士生导师，renyuan_bt@126.com。

1、工作与学习简历

内蒙古科技大学机械工程学院学士与硕士学位，上海大学材料科学与工程学院博士学位，2012至今在内蒙古科技大学机械工程学院从事教学与科研工作。

2、研究方向

主要研究领域为微纳储能器件仿真与开发，包括：纳米复合表/界面结构和形成机理、固体电解质界面在锂硫电池中对锂负极调控作用、离子输运与锂基负极枝晶生长关系以及锂硫化合物输运与转化。

（1）固体电解质界面对锂负极调控作用

针对锂-硫电池中锂金属负极表面固体电解质界面（SEI）抑制锂枝晶的作用及机理进行研究。采用第一性原理计算、动力学蒙特卡洛及有限元方法仿真，对SEI的成分、结构、性能及分布形式对锂金属沉积的影响，探索通过原位均化SEI方式抑制锂枝晶生长。

（2）离子输运与锂金属基负极枝晶生长关系

针对以锂金属基为负极的电极材料的复合结构及其相应的电化学性能，基于离子输运特性探索纳米有序结构负极的设计和制备方法。开发设计了能够均布电子云重构、均布SEI及均布锂沉积的纳米结构负极，确定了相应的制备工艺方法。

3、主持科研项目

(1)国家自然科学基金项目，第一性原理融合有限元研究SEI空间电荷调控锂负极电化学势驱动锂沉积，主持项目；

(2)国家自然科学基金项目，循环双稳固体电解质界面对抑枝解硫作用的第一性原理研究，主持项目；

(3)内蒙古自然科学基金面上项目，纳米多孔过渡金属氮化物与氧化物掺杂复合界面对锂负极保护机制研究，主持项目；

(4)内蒙古自然科学基金联合项目，过渡金属卤化物包覆正极界面电阻跨尺度模型构建与离子输运机制研究，主持项目；

(5)内蒙古自治区高等学校青年科技人才发展项目（青年科技英才），主持项目；

(6)内蒙古自治区研究生教育教学改革项目，机械学科研究生导师AI素养与专业发展能力提升，主持项目；

(7)内蒙古自治区直属高校基本科研业务费项目优秀青年基金，界面离子输运跨尺度模型构建与锂沉积机制研究，主持项目；

(8)内蒙古自治区直属高校基本科研业务费项目，稀土掺杂卤化物固体电解质振动频率与离子输运协同机制与性能调控研究，主持项目；

(9)内蒙古自治区高等学校科学技术研究项目，锂硫电池中固体电解质界面对锂枝晶生长的动力学作用，主持项目；

(10)内蒙古科技大学创新基金项目，纳米复合金刚石薄膜结构性能及形成机理的研究，主持项目。

4、代表性论著

(1)Effect of ion exchange between the cathode and the solid electrolyte on the ion transport,Journal of Energy Storage2025, 134,118286.

(2)Coupling Effect of the Lithium Vacancy Concentration and Phonon Vibration Frequency on the Ion Transport in Halide Solid Electrolytes, Materials Today Chemistry 2025,47,102869.

(3)Advanced Batteries for Sustainable Energy Storage,Green Energy & Environment, 2025,889.

(4)Fundamentals and advances of ligand field theory in understanding structure electrochemical property relationship of intercalation-type electrode materials for rechargeable batteries,Progress in Materials Science, 2023, 133,101055.

(5)Reclaiming Neglected Compounds as Promising Solid State Electrolytes by Predicting Electrochemical Stability Window with Dynamically Determined Decomposition Pathway,Advanced Energy Materials, 2022, 12,2201808.

(6)The effect of defects for the ion transport of Li₃ScCl₆and Li₃InCl₆with the interface of lithium metal anode: A first-principles study, Materials Today Communications, 2023, 35, 105764.

(7)The effect of B/P/S doping on Li⁺charge transfer during ion transport along the H-diamond surface: A first-principles calculation, Diamond and Related Materials, 2023, 135, 109846.

(8)The Relationship between the Adsorption Configuration and Fermi Energy Levels in the Conversion Process of Li₂S₆/Li₂S₈on the ZrO₂Surface, Materials Today Chemistry, 2023, 29, 101467.

(9)Competition between Li₂Se₂S_xConversion and Li Ion Transport on Graphene Surface Coordination Doped with Transition Metal and N, Chemical Engineering Journal Advances, 2023, 14, 100468.

(10)Portraying the ionic transport and stability window of solid electrolytes by incorporating Bond Valance-Ewald with dynamically determined decomposition methods, Applied Physics Letters, 2022, 121(17): 173904.

(11)Effect of the mechanical strength on the ion transport in a transition metal lithium halide electrolyte: first-principle calculations, Materials Today Communication, 2022, 33, 104570.

(12)First-principles study of a stable anode interface based on the electron tunneling effect to suppress transition metal reduction in lithium halide solid-state electrolytes, Chemical Engineering Journal Advances, 2022, 12, 10377.

(13)Achieving Photon Upconversion in Mononuclear Lanthanide Molecular Complexes at Room Temperature, J. Phys. Chem. Lett. 2022, 13, 8509−8515.

(14)任元，罗亚桥,施思齐,锂电池中的计算物理学,物理,2022, 51(6): 384-396.

(15)First-Principles Study of the Effect of Mechanical Strength on Ion Transport in La-Doped LiF-SEI on the Li (001) Surface, Materials Today Chemistry, 2021, 20, 100451.

(16)The Ion transport and Mechanical property of N-doping Graphene composite Li₃N SEI: A first principles calculation, Applied Surface Science, 2021, 567, 150746.

(17)The Li ion transport behavior in the defect graphene composite Li₃N SEI: A first principles calculation, Materials Today Chemistry, 2021, 21,100510.

(18)The acidic-atom catalysts of Li₂S₅and Li₂S₇on a TiN (001) surface investigated by first principles calculations, Materials Today Communication, 2021, 26, 101860.

(19)Brief overview of microscopic physical image of ion transport in electrolytes, Acta Physica Sinica. 2020, 69(22): 226601.

(20)Effect of H Defects on Li Transport during the Deposition Process on an H-Diamond Surface: A First-Principles Calculation Analysis, Advanced Theory and Simulations, 2020, 3(8): 2000067.

(21)The charge transfer of intercalated Li atoms around islands on Li-halide (F, Br, Cl) surface of SEIs: A first principles calculation, Computational Materials Science, 2020, 176, 109535.

(22)Surface modification of reconstruction by evolution process of the B/P_C dimer on diamond (001) surface,Journal of Alloys and Compounds, 2018, 737, 456-463.

(23)The Electronic and Elastic Properties of Si Atom Doping in TiN: A First-Principles Calculation,coatings, 2018, 8(4): 1-10.

(24)First-principles study of the charge transfer and evolution of Si doping 2N2Ta islands adsorption on TaN (001) surfaces,Applied Surface Science,392, 2017, 350-355.

(25)Strain and Cohesive Energy of TiN Deposit on Al (001) Surface: Density Functional Calculation,International Journal of Nanoscience,2016, 15 (3): 1650017.

(26)Fucheng Zhang, Evolution of Si-2N2Nb island configuration on NbN (001) surface: A first-principles calculation,Applied Surface Science,2015, 357, 1613-1618.

(27)Evolution behavior of C and Si atoms on diamond (001) surface: A first principle study,Applied Surface Science,2015, 346, 464-469.

(28)Elastic properties and electronic structure of transition metal atoms in CeO2 solid solution: First principle studies,Computational Materials Science,2015, 98, 459-465.

(29)Adsorption and pathways of single atomistic processes on NbN (001) and (111) surfaces: A first-principle study,Applied Surface Science,2014, 298, 236-242.

(30)Adsorption and pathways of single atomistic processes on TiN (111) surfaces: A first principle study, Computational Materials Science, 2013, 77, 102-107.

5、授权专利

(1)任元，杨金玉，刘学杰，纳米尺度孔间距阳极氧化铝模板及其制备方法，国家发明专利，ZL201711001414 .6.

6、出版书籍

(1)电化学储能中的计算、建模与仿真，北京：化学工业出版社，2022，参编。

(2)基于ANSYS的车辆结构有限元分析，北京：化学工业出版社，2021，主编；

(3)ANSYS18.2有限元分析与应用实例，北京：电子工业出版社，2018，参编。

7、所获荣誉

(1)内蒙古自治区科学技术奖自然科学三等奖；

(2)入选内蒙古自治区新世纪321人才工程第三层次；

(3)《物理学报》高被引论文，最有影响力论文，优秀论文；

(4)内蒙古自治区青年教师教学技能比赛二等奖；

(5)内蒙古自治区包头市“优秀教师”；

(6)内蒙古科技大学教学成果奖一等奖；

(7)内蒙古科技大学青年教师教学技能比赛第一名；

(8)内蒙古科技大学“师德师风”先进个人；

(9)内蒙古科技大学“优秀班主任”；

(10)内蒙古科技大学“文明家庭”。

8、主讲研究生课程

有限元法与Matlab技术，ANSYS程序及应用