唐树伟

学习工作访学经历

2002.9-2006.7渤海大学 化学化工学院 化学教育专业 本科

2006.9-2011.7东北师范大学 化学学院 物理化学 博士学位

2011.7-2018.7东北师范大学 化学学院 讲师

2018.8-至今辽宁工程技术大学 材料科学与工程学院 副教授

2014.08-2015.07日本京都大学 福井谦一纪念研究中心 博士后 （Shigeyoshi Sakaki教授课题组）

社会兼职情况

中国化学会会员

担任Nano Energy、Materials Today Physics、Journal of Materials Chemistry A/C、Nanoscale、Inorganic Chemistry、Computational Material Science、Journal of Alloys and Compounds、Materials Today Communications、Optik、Physical Chemistry Chemical Physics、ACS Omega、Chemical Engineering Journal、Journal of Materials Science、Inorganic Chemistry、Organic Chemistry Frontiers、Physica B、Computational and Theoretical chemistry、科学通报分子科学学报等国内外学术期刊审稿专家

主要研究方向和主要学术贡献

1. 新型热电材料的结构设计与性能

2. 锂（钠）离子电池正极材料的设计与模拟

3. 过渡金属催化有机化学反应的机理研究

主要学术论文

1. Peng Ai, Shuwei Tang,* Da Wan, Xiaodong Li, Wanrong Guo, Tuo Zheng, Xiuling Qi, and Shulin Bai,* Strong anharmonic phonon scattering induced low lattice thermal conductivity in La₂Sn₂Se₆ monolayer with high thermoelectric performance, Journal of rare earths, 2025, https://doi.org/10.1016/j.jre.2025.03.028. (SCI, 一区TOP)

2. Peng Ai, Shuwei Tang*, Shulin Bai, Da Wan, Wanrong Guo, Pengfei Zhang, Tuo Zheng, Hao Wang, Tengyue Yan, High-Entropy Strategy in Designing La₂Bi₄Cu₂O₆Se₄ Superlattice Thermoelectric Material with Band Convergency and Low Thermal Conductivity, Journal of Energy Chemistry, 2025, https://doi.org/10.1016/j.jechem.2025.03.037. (SCI, 一区TOP)

3. Shuwei Tang*, Zhiwei Zhang, Shulin Bai*, Da Wan, Peng Ai, Xiaodong Li, Pengfei Zhang, Yujie Bao, Yunzhuo Zhang, Theoretical Study of Low Lattice Thermal Conductivity Induced by Antibonding and Acoustic-Optical Coupling in Nanolayered NdAgTeO Thermoelectric Material with High ZT, ACS Applied Nano Materials, 2025, 8, 5543−5555. (SCI, 三区)

4. Pengfei Zhang, Shuwei Tang,* Da Wan, Xiaodong Li, Peng Ai, Wanrong Guo, Tengyue Yan, Yunzhuo Zhang, Qingshun Li, and Shulin Bai*, Cation-Driven Vibrational Hierarchy in NaCdX (X = As, Sb) Thermoelectrics: From Static Insulation to Rattling-Like Dissipation, Chemistry of Materials, 2025, 37, 1891-1905. (SCI, 二区)

5. Tuo Zheng, Shuwei Tang,* Pengfei Zhang, Da Wan, Tengyue Yan, Wanrong Guo, Hao Wang, and Shulin Bai,* Band convergence and phonon localization in introducing high thermoelectric performance for Zintl-phase SrLiBi material: A theoretical investigation, Applied Materials Today, 2025, 43, 102670. (2区)

6. Shuwei Tang,* Pengfei Zhang, Da Wan, Xiaodong Li, Peng Ai, Zhiwei Zhang, Wanrong Guo, and Shulin Bai*, Xiuling Qi, Dual role of lone pair electron and rattling vibration in Zintl-phase BaCaPb thermoelectric material, Materials Chemistry Frontiers, 2025, 9, 592-607.(SCI, 三区，内封面文章). 

7. Da Wan, Shulin Bai, Xiaodong Li, Jingyi Zhang, Peng Ai, Wanrong Guo, and Shuwei Tang,* Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material, Journal of Energy Chemistry, 2025, 100, 259-272. (SCI, 一区TOP)

8. Shuwei Tang,* Tuo Zheng, Tengyue Yan, Wanrong Guo, Pengfei Zhang, Xiuling Qi and Shulin Bai*, Low lattice thermal conductivity induced by antibonding sp-hybridization in Sb₂Sn₂Te₆ monolayer with high thermoelectric performance: First-principles calculations, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2025, 707, 135845. (SCI, 二区)

9. Shuwei Tang,* Wanrong Guo, Da Wan, Xiaodong Li, Tuo Zheng, Hao Wang, Xiuling Qi and Shulin Bai*, Antibonding Cu(d)-Te(p) states and bonding inhomogeneity inducing low lattice thermal conductivity and extraordinary thermoelectric properties of layered heteroanionic NdCuOTe material: A first-principles study, Journal of Materials Chemistry C, 2025, 13, 2932–2946. (SCI, 三区)

10. Tengyue Yan, Qingshun Li, Tuo Zheng, Wanrong Guo, Da Wan, Xiaodong Li, Hao Wang, Pengfei Zhang, Shuwei Tang,* and Shulin Bai*, Low lattice thermal conductivity and anisotropic thermal transport properties of the layered BiAgOTe material in consideration of four-phonon scattering rates: A first-principles investigation, The Journal of Physical Chemistry C, 2024, 128, 45, 19445–19457. (SCI, 三区)

11. Peng Ai, Shuwei Tang*, Da Wan, Wanrong Guo, Hao Wang, Pengfei Zhang, Tuo Zheng, Shulin Bai*, Synergistic effect of Lone-pair electron and atomic distortion in introducing anomalous phonon transport in layered PbXSeF (X= Cu, Ag) compounds with low lattice thermal conductivity, Materials Today Physics, 2024, 48, 101572. (SCI, 二区)

12. Peng Ai, Shuwei Tang*, Shulin Bai*, Da Wan, Wanrong Guo, Pengfei Zhang, Shizhi Dong, Low lattice thermal conductivity induced by rattling-like vibration in Zintl phase Na₂CaCdSb₂ compound with high ZT from two-channel model, Chemical Engineering Journal, 2024, 499, 156458. (SCI, 一区TOP)

13. Shuwei Tang,* Hao Wang, Da Wan, Xiaodong Li, Wanrong Guo, Tuo Zheng, Xiuling Qi and Shulin Bai*, Thermoelectric Performance of Bi₂Sn₂Te₆ Monolayer with Ultralow Lattice Thermal Conductivity Induced by Hybrid Bonding Properties: A Theoretical Prediction, Science China Technological Sciences, 2024, 67(11), 3381-3393. (SCI, 二区)

14. Xiaodong Li, Shuwei Tang*, Shulin Bai, Da Wan, Jingyi Zhang, Zehui Yang, Wanrong Guo, and Yuehui Chen,* Low lattice thermal conductivity induced by interlayer anharmonicity in p-type BaFZnAs compound with high thermoelectric performance, Journal of Alloys and Compounds, 2024, 1002, 175488. (SCI, 二区)

15. Zehui Yang, Wentao Liu, Shulin Bai, Peng Ai, Hao Wang, Tuo Zheng, Qingshun Li and Shuwei Tang*, Thermoelectric Properties of Layered BaFZnP Material in Consideration of Fourth-order Anharmonicity and Multiple Carrier Scattering Rates: A First-Principles Calculations, ACS Applied Nano Materials, 2024, 7, 11, 13004–13016. (SCI, 二区)

16. Shuwei Tang,* Peng Ai, Shulin Bai, Da Wan, Xiaodong Li, Wanrong Guo, and Tuo Zheng, Weak interatomic interactions induced low lattice thermal conductivity in 2D/2D PbSe/SnSe vdW heterostructure, Materials Today Physics, 2024, 43, 101398. (SCI, 二区)

17. Xiaodong Li, Shulin Bai, Da Wan, Jingyi Zhang, Mengxiu Wu, Peng Ai, and Shuwei Tang,* Layered PrZnOX (X = P, As) compounds: Promising n-type thermoelectric materials with low lattice thermal conductivity, Chemical Engineering Journal, 2024, 481, 148513.  (SCI, 一区TOP) 

18. Da Wan, Shulin Bai, Xiaodong Li, Jingyi Zhang, Peng Ai, Wanrong Guo, and Shuwei Tang,* Anharmonicity and weak bonding-driven extraordinary thermoelectric performance in wrinkled SnSe monolayer with ultra-low lattice thermal conductivity, Ceramics International, 2024, 50(6), 9591-9603. (SCI, 二区TOP)

19. Zehui Yang, Wentao Liu, Shulin Bai, Peng Ai, Hao Wang, Tuo Zheng, Qingshun Li and Shuwei Tang*, Anchoring and catalytic insights into confined bilayer C₄N₃ material for lithium-selenium batteries: a first-principles study, Physical Chemistry Chemical Physics, 2024, 26(3), 2291–2303. (SCI, 三区)  

20. Wentao Liu, Zehui Yang, Shulin Bai, Peng Ai, Hao Wang, Tuo Zheng, Chuntong Zhang, Shuwei Tang*, Theoretical insights into the anchoring and catalytic effect of bilayer C₃N₃ for lithium-selenium batteries, Diamond & Related Materials, 2024, 143, 110880. (SCI, 三区)

21. Jingyi Zhang, Shulin Bai, Da Wan, Xiaodong Li, Zehui Yang, Wentao Liu, and Shuwei Tang,* Tailoring the electronic, mechanical, and carrier transport properties of 1T-SnS₂ monolayer via strain engineering: A first-principles study, Materials Today Communications, 2024, 38, 107636. (SCI, 三区)

22. Da Wan, Shulin Bai, Xiaodong Li, Jingyi Zhang, Peng Ai, Wanrong Guo, and Shuwei Tang,* Rattling-like behavior and band convergence induced ultra-low lattice thermal conductivity in MgAl₂Te₄ monolayer, Journal of Materiomics, 2024, 10, 1004-1016. (SCI, 一区)

23. 唐树伟*，吴孟修，罗东明，王鑫林，白树林，Mg, Ag, Si掺杂AlCu₃合金的电子结构与机械性能, 机械工程学报, 2023, 59(18), 207-218. (EI)

24. Shuwei Tang,* Xiaodong Li, Shulin Bai, Da Wan, Jingyi Zhang, Mengxiu Wu, and Dongming Luo, First-principles study of wrinkled SnTe monolayer as p-type thermoelectric material, Vacuum, 2023, 217, 112533. (SCI, 二区)

25. Shuwei Tang,* Da Wan, Shulin Bai, Shengkai Fu, Xinyu Wang, Xiaodong Li and Jingyi Zhang, Enhancing Phonon Thermal Transport in 2H-CrX₂ (X=S, Se) Monolayers through Robust Bonding Interactions, Physical Chemistry Chemical Physics, 2023, 25, 22401-22414. (SCI, 二区TOP)

26. Shuwei Tang,* Wentao Liu, Zehui Yang, Chenchen Liu, Shulin Bai, Jingyi Zhang, and Dongming Luo, Unveiling the anchoring and catalytic effect of Co@C₃N₃ monolayer as a high-performance selenium host material in lithium-selenium batteries: A first-principles study, Physical Chemistry Chemical Physics, 2023, 25, 21054–21064. (SCI, 二区TOP)

27. Shuwei Tang,* Zehui Yang, Wentao Liu, Chenchen Liu, Shulin Bai, Jingyi Zhang, and Dongming Luo, Exploring the anchoring mechanism of polyselenides on C₄N₃ monolayer as selenium host material: A first-principles study, Diamond & Related Materials, 2023, 138, 110263. (SCI, 二区)

28. Da Wan, Shulin Bai, Mengxiu Wu, Jingyi Zhang, Dongming Luo, Xiaodong Li, Shuwei Tang,* Unravelling the regulating role of strain engineering on the phonon dispersion, mechanical behavior, and electronic transport properties of pentagonal PtTe₂ monolayer, Vacuum, 2023, 215, 112343. (SCI, 二区)

29. Shulin Bai, Jingyi Zhang, Mengxiu Wu, Dongming Luo, Da Wan, Xiaodong Li, and Shuwei Tang,* Theoretical prediction of thermoelectric performance for layered LaAgOX (X = S, Se) materials in consideration of the four-phonon and multiple carrier scattering processes, Small Methods, 2023, 7, 2201368. (SCI, 二区, Frontispiece文章)

30. Shulin Bai, Mengxiu Wu, Jingyi Zhang, Dongming Luo, Da Wan, Xiaodong Li, and Shuwei Tang,* Stacking pattern induced high ZTs in monolayer SnSSe and bilayer SnXY (X/Y = S, Se) materials with strong anharmonic phonon scattering, Chemical Engineering Journal, 2023, 29, 140832 (SCI, 一区TOP)

31. Yongqiang Mao*, Jingyi Zhang, Shulin Bai, MengxiuWu, Dongming Luo, Shuwei Tang*, The electronic, mechanical properties and negative in-plane Poisson’s ratio in novel pentagonal NiX₂ (X = S, Se, Te) monolayers with strong anisotropy: A first principles prediction, Computational Materials Science, 2023, 216, 111873. (SCI, 三区)

32. Shulin Bai, Shuwei Tang*, Mengxiu Wu, Dongming Luo, Jingyi Zhang, Da Wan, Xiaodong Li, Chromium ditelluride monolayer: A novel promising 2H phase thermoelectric material with direct bandgap and ultralow lattice thermal conductivity, Journal of Alloys and Compounds, 2023, 930, 167485. (SCI, 二区TOP)

33. 唐树伟*，吴孟修，罗东明，王鑫林，白树林, C，Fe，Si掺杂Al₃V合金的电子结构与力学性能, 中国有色金属学报, 2023, 33(1), 138-148. (EI)

34. Shuwei Tang*, Mengxiu Wu, Shulin Bai, Dongming Luo, Jingyi Zhang, Da Wan, Xiaodong Li, SnSe₂ monolayer with square lattice structure: A promising p-type thermoelectric material with indirect bandgap and low lattice thermal conductivity, Journal of Materials Chemistry C, 2022, 10, 16116 - 16125. (SCI, 二区TOP)

35. Shuwei Tang, Shulin Bai, Mengxiu Wu, Dongming Luo, Jingyi Zhang, Dongyang Wang*, Shaobin Yang, Li-Dong Zhao*, Improving thermoelectric performance of asymmetrical Janus 1T-SnSSe monolayer by the synergistic effect of band convergence and crystal lattice softening under strain engineering, Materials Today Physics, 2022, 29, 100923 (SCI, 二区)

36. Shuwei Tang,* Dongming Luo, Shulin Bai, Mengxiu Wu, Jingyi Zhang, Wentao Liu, Zehui Yang, Unravelling the regulating role of graphene coating on improving the electrochemical performance of pyrophosphate cathode material: A first-principles study, Applied Surface Science, 2022, 605, 154814. (SCI, 一区TOP) 

37. Shulin Bai, Yuxin Ma, Mengxiu Wu, Jingyi Zhang, Dongming Luo, Da Wan, Shuwei Tang,* Unravelling the regulating role of stacking pattern on the tunable dipole, mechanical behavior and carrier mobility for asymmetric Janus SnSSe bilayer, Materials Today Communications, 2022, 33, 104191. (SCI, 三区)

38. Shulin Bai, Shuwei Tang,* Mengxiu Wu, Dongming Luo, Jingyi Zhang, Da Wan, Shaobin Yang, Unravelling the thermoelectric properties and suppression of bipolar effect under strain engineering for the asymmetric Janus SnSSe and PbSSe monolayers, Applied Surface Science, 2022, 599, 153962. (SCI, 一区TOP)

39. Shuwei Tang,* Mengxiu Wu, Shulin Bai, Dongming Luo, Jingyi Zhang, Shaobin Yang, Honeycomb-like puckered PbTe monolayer: A promising n-type thermoelectric material with ultralow lattice thermal conductivity, Journal of Alloys and Compounds, 2022, 907, 164439. (SCI, 二区TOP)

40. Shuwei Tang,* Shulin Bai, Mengxiu Wu, Dongming Luo, Jingyi Zhang, Wen Sun and Shaobin Yang, Low-cost pentagonal NiX₂ (X = S, Se, and Te) monolayers with strong anisotropy as potential thermoelectric materials, Physical Chemistry Chemical Physics, 2022, 24(8), 5185-5198. (SCI, 二区TOP)

41. Shuwei Tang, Shulin Bai, Mengxiu Wu, Dongming Luo, Dongyang Wang,* Shaobin Yang, Li-Dong Zhao*, Honeycomb-like puckered PbSe with wide bandgap as promising thermoelectric material: a first-principles prediction, Materials Today Energy, 2022, 23, 100914. (SCI, 三区)  

42. Shuwei Tang,* Chenchen Liu, Wen Sun, Jingyi Zhang, Shulin Bai, Xu Zhang, Shaobin Yang, Unraveling the superior anchoring of lithium polyselenides to the confinement bilayer C₂N: an efficient host material for lithium–selenium batteries, Physical Chemistry Chemical Physics, 2021, 23(47), 26981-26989. (SCI, 二区TOP)

43. Shuwei Tang,* Chenchen Liu, Wen Sun, Xu Zhang, Ding Shen, Wei Dong, Shaobin Yang, Understanding the anchoring and catalytic effect of the Co@C₂N monolayer in lithium–selenium batteries: a first-principles study, Nanoscale, 2021, 13(38), 16316-16323. (SCI, 二区TOP)

44. Yuhan Li, Shuwei Tang,* Jingping Zhang,* Koichi Yamashita, Lei Ni, Understanding the electrochemical properties of bulk phase and surface structures of Na₃TMPO₄CO₃ (TM = Fe, Mn, Co, Ni) from first principles calculations, Physical Chemistry Chemical Physics, 2020, 22(43), 25325-25334. (SCI, 二区TOP)

45. Xu Zhang, Shaobin Yang,* Xueying Shan, Sinan Li, Shuwei Tang*, Insights into the effect of the interlayer spacings of bilayer graphene on the desolvation of H⁺, Li⁺, Na⁺, and K⁺ ions with water as a solvent: a first-principles study, Physical Chemistry Chemical Physics, 2020, 22(42), 25325-25334. (SCI, 二区TOP)

46. Junmei Ma, Hongwei Gong, Tong Zhang, Hong Yu, Rong Zhang, Zhenhua Liu, Guoxin Yang, Hao Sun*, Shuwei Tang*, Yongqing Qiu*, Hydrogenation of CO₂ to formic acid on the single atom catalysis Cu/C₂N: A first principles study, Applied Surface Science, 2019, 488, 1-9. (SCI, 一区TOP)

47. Tong Zhang, Hao Sun,* Fengdi Wang, Wanqiao Zhang, Junmei Ma, Shuwei Tang,* Hongwei Gong,* Jingping Zhang. Electric-field controlled capture or release of phosgene molecule on graphene-based materials: First principles calculations, Applied Surface Science, 2018, 427, 1019-1026. (SCI, 一区TOP)

48. Yang Yang, Xiaoying Hou, Tong Zhang, Junmei Ma, Wanqiao Zhang, Shuwei Tang,* Hao Sun,* Jingping Zhang. Mechanistic Insights into the Nickel-Catalyzed Cross-Coupling Reaction of Benzaldehyde with Benzyl Alcohol via C−H Activation: A Theoretical Investigation, The Journal of Organic Chemistry, 2018, 83(19), 11905-11916. (SCI, 二区TOP)

49. Tong Zhang, Hao Sun,* Fengdi Wang, Wanqiao Zhang, Junmei Ma, Shuwei Tang,* Hongwei Gong,* Jingping Zhang. Reversible adsorption/desorption of the formaldehyde molecule on transition metal doped graphene by controlling the external electric field: first-principles study, Theoretical Chemistry Accounts, 2017, 136(12), 134. (SCI, 四区)

50. Xiaoying Hou, Jing Liang, Tong Zhang, Yuhan Li, Shuwei Tang,* Hao Sun,* Jingping Zhang, Insights into electrochemistry and mechanical stability of α- and β-Li₂MnP₂O₇ for lithium-ion cathode materials: First-principles comparison, The Journal of Physical Chemistry C, 2017, 121 (41), 22656–22664. (SCI, 三区)

51. Jing Liang, Yuhan Li, Xiaoying Hou, Fengdi Wang, Wanqiao Zhang, Jingping Zhang, Shuwei Tang,* Hao Sun*, Insight into electrochemical and elastic properties in AFe_1-xM_xSO₄F (A=Li, Na; M=Co, Ni, Mg) cathode materials: a first principle study, Electrochimica Acta, 2017, 251(10): 316-323. (SCI, 二区TOP)

52. Shuwei Tang, Odile Eisenstein, Yoshiaki Nakao, and Shigeyoshi Sakaki*, Aromatic C-H σ-Bond Activation by Ni⁰, Pd⁰, and Pt⁰ Alkene Complexes: Concerted Oxidative Addition to Metal vs Ligand-to-Ligand H Transfer Mechanism, Organometallics, 2017, 36 (15): 2761-2771. (SCI, 二区)

53. Fengdi Wang, Tong Zhang, Xiaoying Hou, Wanqiao Zhang, Shuwei Tang*, Hao Sun*, Jingping Zhang, Li-decorated porous graphene as a high-performance hydrogen storage material: A first-principles study, International Journal of Hydrogen Energy, 2017, 42(15): 10099-10108. (SCI, 二区TOP)

54. Shogo Okumura, Shuwei Tang, Teruhiko Saito, Kazuhiko Semba, Shigeyoshi Sakaki*, Yoshiaki Nakao*, Para-Selective Alkylation of Benzamides and Aromatic Ketones by Cooperative Nickel/Aluminum Catalysis, Journal of the American Chemical Society, 2016, 138 (44), 14699-14704. (SCI, 一区TOP)

55. Yuhan Li, Weiwei Sun, Jing Liang, Hao Sun, Igor Di Marco, Lei Ni, Shuwei Tang*, Jingping Zhang*, Understanding the electrochemical properties of A₂MSiO₄ (A=Li and Na; M=Fe, Mn, Co and Ni) and the Na doping effect on Li₂MSiO₄ from first principles calculations, Journal of Materials Chemistry A, 2016, 4(44), 17455-17463. (SCI, 二区TOP)

56. Wanqiao Zhang, Xiaodi Guo, Yunju Zhang, Fang Wang, Haijie Shi, Jingping Zhang, Rongshun Wang, Shuwei Tang*, Haitao Wang, Hao Sun*, The mechanistic study of the hydroxyl radical reaction with trans-2-chlorovinyldichloroarsine, Journal of Molecular Modeling, 2014, 20(7): 2335-1-19. (SCI, 四区)

57. Yuhan Li, Jingping Zhang, Fengmei Yang, Jingliang, Hao Sun, Shuwei Tang*, Rongshun Wang*, Morphology and surface properties of LiVOPO₄: A first principles study, Physical Chemistry Chemical Physics, 2014, 16(44): 24604-24609. (SCI, 二区TOP)

58. Fengdi Wang, Fang Wang, Nannan Zhang, Yuhan Li, Shuwei Tang*, Hao Sun*, Yingfei Chang, Rongshun Wang, High-capacity hydrogen storage of Na-decorated graphene with boron substitution: First-principles calculations, Chemical Physics Letters, 2013, 555: 212-216. (SCI, 四区)

59. Shuwei Tang, Fengdi Wang, Yuhan Li, Fang Wang, Shaobin Yang, Hao Sun, Yingfei Chang*, Rongshun* Wang, From pure C₃₆ fullerene to cagelike nanocluster: A density functional study, Journal of Molecular Modeling, 2013, 19(12): 5579-5586. (SCI, 四区)

60. Shuwei Tang, Fengdi Wang, Nannan Zhang, Yingfei Chang*, Hao Sun, Jingping Zhang, Haiming Xie*, Yongqing Qiu, Rongshun Wang, Electronic structures and optical properties of the IPR-violating C₆₀X₈ (X = H, F, and Cl) fullerene compounds: A computational study, Physical Chemistry Chemical Physics, 2012, 14(47): 16476-16485. (SCI, 二区TOP)

61. Shuwei Tang, Jingdong Feng, Yongqing Qiu, Hao Sun, Fengdi Wang, Zhongmin Su, Yingfei Chang*, Rongshun Wang*, Thermochemical stabilities, electronic structures, and optical properties of C₅₆X₁₀ (X= H, F, and Cl) fullerene compounds, Journal of Computational Chemistry, 2011, 32(4): 658-667. (SCI, 三区)

62. Shuwei Tang, Jingdong Feng, Yongqing Qiu, Hao Sun, Fengdi Wang, Yingfei Chang*, Rongshun Wang*, Electronic structures and nonlinear optical properties of highly deformed halofullerenes C_3v C₆₀F₁₈ and D_3d C₆₀Cl₃₀, Journal of Computational Chemistry, 2010, 31(14): 2650-2657. (SCI, 三区) 

63. Shuwei Tang, Jingdong Feng, Lili Sun, Fengdi Wang, Hao Sun, Yingfei Chang*, Rongshun Wang*, Structural stability and electronic property of C₆₈X₄ (X = H, F, and Cl) fullerene compounds，Journal of Molecular Graphics and Modelling, 2010, 28(8):891-898. (SCI, 四区)

64. Shuwei Tang, Lili Sun, Jingdong Feng, Hao Sun, Rongshun Wang*, Yingfei Chang*, DFT investigation on the structures and stabilities of exohedral derivatives for D₃ C₃₂ fullerene: C₃₂X_n (X = H and Cl), European Physical Journal D, 2009, 53(2): 197-204. (SCI, 四区)

65. Shuwei Tang, Lili Sun, Hao Sun, Jingdong Feng, Rongshun Wang*, Yingfei Chang*, Lizhu Hao, Search for the most stable Ca@C₄₄ isomer: Structural stability and electronic property investigations, Journal of Chemical Physics, 2009, 130(12): 24705-1-8. (SCI, 二区)

66. Shuwei Tang, Yingfei Chang, Lili Sun, Hao Sun, Zhongmin Su, Rongshun Wang*, Stabilities, Electronic Properties of Exohedral Fluorine and Trifluoromethyl Derivatives for T_d C₂₈ Fullerene C₂₈F_4–n(CF₃)_n (n= 0,1,2,3,4), International Journal of Quantum Chemistry, 2008, 108(8), 1391-1399. (SCI, 三区)

发明专利

1. 唐树伟;罗东明;董伟;吴孟修，一种锂离子电池负极材料除磁装置，专利号：ZL202210890388.1，2023.07.

承担课题

1.“高电压型焦磷酸盐正极材料的表面结构、嵌锂机制与化学改性研究”, 国家自然科学基金青年项目(基金号：21503039)  （项目主持人）

2. “高电压焦磷酸盐正极材料的嵌锂机制与化学改性研究”，吉林省教育厅（基金号:吉教科合字【2014】B036号）（项目主持人）

3. “锂离子电池焦磷酸盐正极材料的导电机理与改性研究”，教育部博士点基金 (基金号： 20130043120008) (项目主持人)

4. “锂离子电池焦磷酸盐类正极材料的嵌锂机制与储锂性能研究”, 辽宁省科技厅自然科学面上项目 (基金号：2019MS164) (项目主持人)

5. “限域石墨烯负载过渡金属氧化物量子点的固硫机制与储锂性能研究”，辽宁省教育厅科学技术研究项目 (基金号：LJ2020JCL034) (项目主持人)

6. “储能矿物材料基因工程与智能设计创新团队”，辽宁工程技术大学“双一流”学科创新团队（培育）项目 (基金号：LNTU20TD-16) (团队项目主持人)

教学方面

1.“材料第一性原理计算及应用”，2024年“辽宁工程技术大学校级研究生课程思政示范项目”重点示范项目(项目主持人)

2. “限域石墨烯负载过渡金属氧化物量子点的固硫机制与储锂性能研究”，2021年大学生创新训练项目（省级）

3. “BiAgSeO层状材料结构设计与热电性能研究”，2023年大学生创新训练项目（国家级）

主讲本科生课程：“结构化学”、“材料概论”、“LED材料与器件”、“物理化学”、 “材料科学基础”、“半导体物理与器件”、“thermodynamics of Materials”、“材料科学研究方法与实践”、“太阳能电池技术及应用”、 “新能源材料与器件有限元分析及应用”

主讲研究生课程：“计算材料学”、“第一性原理在材料中的应用”、“学术英语写作”、“材料分子动力学”、“量子化学计算”、“材料计算与模拟”、“材料研究进展”

研究生发表论文及获奖情况

1. 2019级，刘晨晨，辽宁省优秀毕业生，中国航天科技集团公司CASC二等奖学金，辽宁工程技术大学优秀硕士学位论文，一等学业奖学金，发表SCI二区论文2篇

2. 2020级，白树林，国家奖学金，辽宁省优秀硕士学位论文，辽宁省优秀毕业研究生，辽宁工程技术大学优秀硕士学位论文，发表SCI一区论文2篇，2区论文4篇，3区论文2篇，影响因子累计73.759，1篇论文被Small methods期刊选作Frontispiece文章，北京航空航天大学博士（在读）‬ 

3. 2020级，吴孟修，一等学业奖学金，发表SCI二区论文2篇，EI检索1篇

4. 2020级，罗东明，中国航天科技集团公司CASC三等奖学金，一等学业奖学金，辽宁工程技术大学优秀硕士学位论文，发表SCI一区论文1篇， EI检索1篇

5. 2020级，张静怡，三等学业奖学金，发表SCI三区论文2篇，广东工业大学博士（在读）‬ 

6. 2021级，万达，国家奖学金，校优秀毕业生，辽宁工程技术大学优秀硕士学位论文，发表SCI一区论文2篇，二区论文3篇，北京航空航天大学博士（在读）‬

7. 2021级，李晓东，一等学业奖学金，发表SCI一区论文1篇，二区论文2篇，辽宁工程技术大学优秀硕士学位论文，获得辽宁工程技术大学第一届研究生创新创业成果展“优秀创新创业成果”奖，郑州大学博士（在读）‬

8. 2021级，刘文涛，二等学业奖学金，发表SCI二区论文1篇，三区论文1篇，贵州大学博士（在读）‬

9. 2021级，杨泽慧，二等学业奖学金，发表SCI二区论文2篇，三区论文1篇，中国地质大学博士（在读）

10. 2022级，艾鹏，国家奖学金，辽宁省优秀毕业生，校“研究生科技之星”，发表SCI一区论文3篇，二区论文3篇

11. 2022级，二等学业奖学金，郭万荣，发表SCI二区论文1篇

12. 2022级，二等学业奖学金，王好，发表SCI二区论文1篇

13. 2022级，郑拓，发表SCI二区论文2篇

14. 2022级，二等学业奖学金，闫腾月，发表SCI三区论文1篇

15. 2023级，章鹏飞，发表SCI二区论文2篇，

16. 2023级，张智威，发表SCI三区论文1篇，

获奖情况

1. 2024年“辽宁省优秀硕士学位论文”优秀指导教师

2. 2024年辽宁工程技术大学优秀教师

3. 2024年辽宁工程技术大学材料科学与工程学院优秀教师

4. 2024年辽宁工程技术大学“三全育人”先进个人（科研育人）

5. （2022-2024）辽宁工程技术大学“优秀硕士学位论文”指导教师

6. 2024年辽宁工程技术大学材料科学与工程学院“我最喜爱的老师”

7. 2022年辽宁工程技术大学材料科学与工程学院优秀教师

8. 2022年辽宁工程技术大学“优秀毕业(设计)论文”指导教师

9. 2020中国商业联合会科技进步三等奖