姓名：雷雪玲
学位/职称：博士/教授
研究领域：凝聚态物理理论计算
个人简介：雷雪玲，女，理学博士，凝聚态物理专业，江西师范大学物理系教授，物理学硕士生导师，物理学博士生导师，学科教学（物理）教育硕士导师，九三社员，主要从事固态自旋缺陷与新能源材料的理论研究。曾于2014-2016年在美国南卡大学和本尼迪克特大学从事博士后研究工作。江西省物理学会会员，国家自然科学基金函评专家。担任J. Phys. Chem.等国际重要期刊审稿人。以通讯作者或第一作者在Phys. Rev. B，Energy Environ. Sci.等国际著名期刊上发表多篇研究论文。至今已发表学术论文90余篇，引用1000余次。先后主持国家自然科学基金5项，参与2项，主持江西省自然科学基金2项，参与2项，主持江西省教育厅一般项目1项。2021年入选江西师范大学“1125”人才工程，曾荣获江西师范大学“三育人”先进工作者、江西师范大学“熊智明奖学奖教金”等荣誉称号。先后给本科生系统讲授过《原子物理学》、《热学》、《热力学与统计物理》、《固体物理》等课程。
课题组网站：https://www.labxing.com/leixueling
研究兴趣：
1. 1.量子比特及宿主材料的理论研究
2. 2.单原子/单团簇催化剂的理论研究
3. 3.固态电解质的理论研究
4. 4.异质结的构建及光催化性质
5. 5.团簇物理的理论研究
指导学生情况：
已指导研究生20人，其中博士2人。
招生要求：
身心健康，对科研感兴趣，本科为物理学专业者、计算机和英语较好者优先考虑。
社会兼职：
1.全国计算原子与分子物理专业委员会委员
2.全国热力学与统计物理教学研究会理事
3.团簇科学与原子制造学术研讨会组织委员
4.九三学社江西师范大学基层委员会副主委
5.九三学社江西省妇女工作委员会副主任
联系方式：
办公电话：13330056611
电子邮箱：xueling@mail.ustc.edu.cn
教育背景：
2004/9-2007/6，硕士，凝聚态物理，河南大学
2009/9-2012/6，博士，凝聚态物理，中国科学技术大学
工作经历：
1. 2019/12-至今，江西师范大学，物理系，教授
2. 2013/12-2019/11，江西师范大学，物理系，副教授
3. 2012/07-2013/11，江西师范大学，物理系，讲师
4. 2007/07-2009/8，新疆师范大学，物理系，讲师
5. 2015/07-2016/06，美国本尼迪克特大学化学系，博士后研究
6. 2014/07-2015/06，美国南卡大学机械系，博士后研究
科研项目：
1. 国家自然科学基金（12564036），基于高通量计算设计负载型单团簇催化剂助力开发高性能锂-氧电池，研究期限：2026/01-2029/12，主持，在研。
2. 国家自然科学基金（12164020），理论研究(Li2O2)n团簇在石墨烯基催化基底上的分解机理，研究期限：2022/01-2025/12，主持，在研。
3. 国家自然科学基金（11764019），锂空电池阴极反应机理和锂离子输运动力学研究，研究期限：2018/01-2021/12，主持，结题。
4. 国家自然科学基金（11404149），Pt-Cu二元合金纳米晶微观结构及其催化性能的研究，研究期限：2015/01-2017/12，主持，结题。
5. 国家自然科学基金（10964012），基于硼元素的团簇结构调控和物性研究，研究期限：2010/01-2012/12，主持，结题。
6. 江西省自然科学基金重点项目（20252BAC250005），高性能锂-空电池中二维负载型单团簇催化剂的理论设计， 研究期限：2025/01-2028/12，主持，在研。
7. 江西省自然科学基金面上项目（20202BAB201012），以(Li2O2)n团簇模型研究锂-氧电池放电产物过氧化锂的分解机理， 研究期限：2020/01-2022/12，主持，结题。
8. 江西省教育厅一般项目（GJJ14252），Pt-Cu二元合金纳米晶的微观结构和组分对其催化性能影响的理论研究，研究期限：2014/01-2016/12，主持，结题。
学术成果：
1. Jijun Huang, Qiang Ke, Xueling Lei *, First principles investigation of point defects in two-dimensional SiC as single-photon sources,Phys. Rev. B, 2025, 112, 085303.
2. Qiang Ke, Jijun Huang,Danyi Sun, Xueling Lei *,Kevin Huang**, Geometrical, electronic and mechanical properties of a new perovskite solid-state lithium-ion electrolyte Li3/8Sr7/16Ta3/4Hf1/4O3: A first-principles study, Solid State Commun.2025, 404, 116082.
3. Chengdong Hou, Qiang Ke, Xueling Lei *, S-scheme GeC/SnS2 heterojunction as an overall water splitting photocatalyst with ultra-high solar-to-hydrogen efficiency, Int. J. Hydrogen Energ.2025, 139: 818-826.
4. Jian Zhou, Tong Liu*, Xueling Lei*, Dong Zhang, Yao Luo, Ronghua Yuan, Yao Wang*, Cesium doping strategy boosts perovskite type bifunctional oxygen electrocatalyst toward efficient and durable rechargeable zinc-air batteries, Chem. Eng. Sci.2025, 314: 121820.
5. Jijun Huang, Qiang Ke, Xueling Lei *, First principles studies of defect centers in two-dimensional NaCl associated with spin qubits,J. Appl. Phys.2025, 137: 134303.
6. Shuxian Wei, Hao Huang, Ningning He, Taiping Hu, Jijun Huang, Yunyu Cai, Yixing Ye, Pengfei Li,* Xueling Lei* and Changhao Liang*, Laser irradiation-induced two-photon photolysis of sulfates for photoluminescent sulfur quantum dots, Mater. Chem. Front., 2025, 9, 45.
7. Luhong Chen , Qiang Ke , Xueling Lei *, Boron doping boosts the catalytic activity of Pd single-atom catalyst for the oxygen evolution reaction of lithium peroxide, J. Energy Storage, 2025, 111: 115433.
8. Qiming Tang, Xueling Lei *, Yongliang Zhang, Jiaxin Lua and Kevin Huang *, Understanding the catalysis of noble metals in reduction of iron oxide by hydrogen: insights from DFT calculations,J. Mater. Chem. A, 2024,12, 31459-31466.
9. Enli Wang, Chao Jin*, Liang Zhao, Zhibin Yang*, Changfei Liu, Sailong Wang, Xueling Lei*, Ming Chao, Hanyu Xu, Ruizhi Yang*, Reinforced chemical adsorption ability for efficient CO2 electrolysis in solid oxide electrolysis cell via a dual-exsolution strategy, Chem. Eng. J. 2024, 494, 153129.
10. Luhong Chen, Qiang Ke, and Xueling Lei*, Metal and Coordinating Atoms Synergistically Achieve High Activity and Stability in Single-Atom Catalysts within the Framework of TM−N3X for the Oxygen Evolution Reaction of Lithium Peroxide, J. Phys. Chem. Lett.2024, 15, 11148−11154.
11. Lei Xue-LingZhu Ju-Yong Ke Qiang Ouyang Chu-Ying, First-principles study of catalytic mechanism of boron-doped graphene oxide on oxygen evolution reaction of lithium peroxide, Acta Physica Sinica, 2024, 73, 098804.
12. Fanglan Cai, Xueling Lei*, Qiang Ke, and Chuying Ouyang, Effects of the Degree of Graphene Oxidation on the Oxidation Evolution Reaction of Lithium Peroxide: First-Principles Study, J. Phys. Chem. C, 2023, 127, 14232−14242.
13. Fanglan Cai, Xueling Lei *, TM-N4C (TM = Co, Pd, Pt and Ru) as OER electrocatalysts in lithium-oxygen batteries: First-principles study, Appl. Surf. Sci., 2023, 609, 155331.
14. Jiarui Tu, Xueling Lei∗, and Pengfei Li∗, Strain-induced ultrahigh power conversion efficiency in BP-MoSe2 vdW heterostructure,Nanotechnology, 2023, 34, 085403.
15. Jijun Huang and Xueling Lei *, First-principles predictions of qubits in defective MgS,Phys. Rev. B, 2022, 105, 224104.
16. Qiming Tang, Yongliang Zhang, Nansheng Xu, Xueling Lei * and Kevin Huang *, Demonstration of 10+ Hour Energy Storage with Φ1″ Laboratory Size Solid Oxide Iron-Air Battery, Energy Environ. Sci., 2022,15, 4659.
17. Jiarui Tu, Wenjun Wu, Xueling Lei*, and Pengfei Li*, The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%, ACS Omega, 2022, 7, 37061−37069.
18. Jijun Huang and Xueling Lei*, Identification of the phosphorus-doping defect in MgS as a potential qubit,Chin. Phys. B, 2022, 31 (10): 106102.
19. Xueling Lei*, Chuying Ouyang, Kevin Huang*, A First-Principles Investigation of Janus MoSSe as a Catalyst for Photocatalytic Water-Splitting, Appl. Surf. Sci., 2021, 537:147919.
20. Xueling Lei*, Wenjun Wu, Bo Xu, Chuying Ouyang, Kevin Huang, LiGaOS is a fast Li-Ion conductor: A first-principles prediction, Mater. Des., 2020, 185, 108264.
21. Binpeng Hou, Xueling Lei*, Shuying Zhong*, Baozhen Sun and Chuying Ouyang, Dissociation of (Li2O2)0,+ on graphene and boron-doped graphene: insights from first-principles calculations, Phys. Chem. Chem. Phys., 2020, 22: 14216—14224.
22. Wenjun Wu, Xueling Lei*, Shuying Zhong, Baozhen Sun, Chuying Ouyang, First-principles insights of hydrogen diffusion dynamics at the α-Al2O3 (0001) surface, Appl. Surf. Sci., 2020, 531: 147263.
23. Zuoliang Gan, Xueling Lei*, Wenjun Wu, Shuying Zhong⁎, Lithium vacancy migration in Li2O2: From first principles studies, Comp. Mater. Sci., 2020, 184:109873.
24. Binpeng Hou, Xueling Lei*, Zuoliang Gan, Shuying Zhong, Gang Liu and Chuying Ouyang, Structural and electronic properties of small lithium peroxide clusters in view of the charge process in Li–O2 batteries, Phys. Chem. Chem. Phys., 2019, 21: 19935—19943.
25. Diancheng Chen, Xueling Lei *, Yanan Wang, Shuying Zhong, Gang Liu, Bo Xu, Chuying Ouyang, Tunable electronic structures in BP/MoSSe van der Waals heterostructures by external electric field and strain, Appl. Surf. Sci., 2019, 497: 143809.
26. Shu-Ying Zhong, Jing Shi, Wen-Wei Luo, and Xue-Ling Lei*, First-principles insight into Li and Na ion storage in graphene oxide,Chin. Phys. B, 2019, 28, (7) 078201.
27. Chanjuan Shang, Bo Xu*, Xueling Lei*, Shicheng Yu; Diancheng Chen, Musheng Wu, Baozhen Sun, Gang Liu, Chuying Ouyang, Bandgap tuning in MoSSe bilayers: synergistic effects of dipole moment and interlayer distance, Phys. Chem. Chem. Phys., 2018, 20: 20919~20926.
28. Xueling Lei *, Haimen Mu, Shuai Li, Gang Liu, Bo Xu, Chuying Ouyang, The structural and electronic properties of Pt-Cu alloy clusters: Embedding atom method combined with density functional theory study. J. Alloys Compd., 2018, 741: 604−609.
29. Chanjuan Shang, Xueling Lei*, Binpeng Hou, Musheng Wu, Bo Xu, Gang Liu, and Chuying Ouyang, Theoretical Prediction of Janus MoSSe as a Potential Anode Material for Lithium-Ion Batteries, J. Phys. Chem. C, 2018, 122: 23899−23909.
30. Yao Wang, Xueling Lei, Yanxiang Zhang, Fanglin Chen∗∗, Tong Liu ∗, In-situ growth of metallic nanoparticles on perovskite parent as a hydrogen electrode for solid oxide cells. J. Power Sources, 2018, 405(30):114–123.
31. Hewen Wang, Musheng Wu, Xueling Lei, Zhengfang Tian, Bo Xu, Kevin Huang⁎, Chuying Ouyang⁎⁎, Siligraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations. Nano Energy, 2018, 49: 67–76.
32. Jingjing Tong, Xueling Lei, Peng Zhang, Kevin Huang, Godwin Mbamalua and Changyong Qin *, Can molten carbonate be a non-metal catalyst for CO oxidation? New J. Chem., 2018, 42(19): 16372−16377.
33. Xueling Lei *, Bo Xu, Chuying Ouyang, and Kevin Huang, Structural and Electronic Features of Nb-Doped SrCoO3: Insight from First-Principles Calculations, J. Phys. Chem. C，2017，121: 24987−24993.
34. Xueling Lei，Godwin Mbamalu，Changyong Qin *，CO Oxidation by Molecular and Atomic Oxygen on Ag(100): A Density Functional Theory Study，J. Phys. Chem. C，2017，121: 2635~2642.
35. Haimen Mu，Bo Xu，Chuying Ouyang，Xueling Lei *，Highly optimized embedding atom method potential for Pt-Cu alloys，J. Alloys Compd.，2017，696: 470~480.
36. Xueling Lei, Kevin Huang, Changyong Qin *, Proton Transfer in Molten Lithium Carbonate: Mechanism and Kinetics by Density Functional Theory Calculations, Sci. Rep., 2017, 7: 7381.
37. Hewen Wang, Xueling Lei, Z. F. Tian, Chuying Ouyang ⁎, Bonding interactions in Li/Na oxides, peroxides and superoxides and their implication to the performance of the Li/Na-air batteries, Solid State Ionics, 2017, 303:24-28.
38. Xueling Lei，Kahla Haines，Kevin Huang，Changyong Qin *, Density functional theory study of oxygen migration in molten carbonate，J. Power Sources, 2016, 305: 161~166.
39. Jingjing Tong，Xueling Lei，Jie Fang，Minfang Han，Kevin Huang *，Remarkable O2 permeation through a mixed conducting carbon capture membrane functionalized by atomic layer deposition, J. Mater. Chem. A, 2016, 4(5): 1828~1837.
40. Xueling Lei，Kevin Hang *，Changyong Qin *，Enhanced interfacial proton migration on BaZr(Y)O3 by molten carbonate: A first principles study，Solid State Ionics，2016，289: 48~54.
41. Xueling Lei，Jie Wang，Kevin Huang *， Fast Li-Ion Transport in Amorphous Li2Si2O5: An Ab Initio Molecular Dynamics Simulation，J. Electrochem. Soc., 2016, 163(7): A1401~A1407.
42. Youngseok Jee, Xuan Zhao, Xueling Lei, and Kevin Huang*, Phase Relationship and Ionic Conductivity in Na–SrSiO3 Ionic Conductor, J. Am. Ceram. Soc., 2016, 99, 324–331.
43. Wenhui Ding, Xueling Lei*, and Chuying Ouyang, Coordination of Lithium Ion with Ethylene Carbonate Electrolyte Solvent: A Computational Study, Int. J. Quantum Chem., 2016, 116, 97–102.
44. Xueling Lei，Kahla Haines，Kevin Huang，Changyong Qin *，DFT Study of Oxygen Dissociation in Molten Carbonate，J. Phys. Chem. A，2015，119 (33): 8806~8812.
45. Xueling Lei，Youngseok Jee，Kevin Huang *, Amorphous Na2Si2O5 as a fast Na+ conductor: an ab initio molecular dynamics simulation，J. Mater. Chem. A，2015，3（39）：19920~19927.
46. Xueling Lei，Changyong Qin，Kevin Huang *，Energetics of proton transfer in alkali carbonates: a first principles calculation, Rsc Advances, 2015, 5(69): 56205~56209.
47. Xiaolei Xiong，Xueling Lei，Cuijuan Zhang，Jie Wang，Kevin Huang *，Synergetic proton conduction in BaZr0.8Y0.2O3-δ–carbonate composite electrolyte for intermediate temperature solid oxide fuel cells，Solid State Ionics，2015，279：66~71.