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个人简介

教育经历 (Educations): 1978.9 - 1982.7 电子科技大学(原成都电讯工程学院)固体物理与器件专业 工学学士学位 1986.9 - 1989.3 国防科学技术大学 应用物理系激光物理专业 理学硕士学位 1994.4 - 2000.3 日本(国立)丰桥技术科学大学 物理化学硕士学位、材料物理化学(工学)博士学位 主要工作经历与学术任职 (Academic Experience): 1982.8 - 1986.8 长沙韶光微电子总公司 助理工程师、车间副主任 1989.3 - 1994.4 国防科学技术大学 助教、讲师 2000.3 - 2002.3 美国加州大学(UCLA)化学系访问研究、日本丰桥技术科学大学(JSPS)博士后 2002.4 - 2004.5 日本(国立)丰桥技术科学大学 理论计算化学研究室 上級研究员 2004.5 - 至今 西安交通大学 理学院化学学科教授,博士生导师 2005.3 - 至今 西安交通大学 理学院 化学物理研究所(ICP)所长 2007.3 - 至今 西安交通大学 第5批“腾飞人才计划”特聘教授 2005.4 - 2012.3 日本(国立)分子科学研究所(IMS) 理论研究系 客座教授 2012.1 - 2012.2 日本(国立)筑波大学 先端科学研究中心(TARA) 客座教授 2012.7 - 2012.8 日本(国立)名古屋大学 理学部化学科 客座教授 2013.7 - 2013.9 日本(国立)京都大学 福井谦一基础化学研究所(FIFC) JSPS研究教授 2016.1 - 2025.12 日本(国立)分子科学研究所(IMS) 客座教授 2017.7 - 2017.9 日本(国立)分子科学研究所(IMS) JSPS研究教授 2019.7 - 2024.09 西安交通大学 理化研究院 分子科学与应用化学研究所(IMSAC)副所长 2015.1 - 2026.12 中国化学会(第29届、第30届、第31届)理事、中国化学会高级会员(终身)

研究领域

应用量子化学 计算化学与分子设计 功能材料物理化学 团簇化学与富勒烯化学 碳基纳米材料化学物理学 凝聚态物理学

近期论文

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Scientific Research Recent Representative Publications (近年主要代表性论文) [* Corresponding Authors (通讯作者) ] (123) Y. B. Sun, J. S. Dang*, X. Zhao*, ChemCatChem, 2025, 17, e202401262. (122) S. Li, X.R. Peng, C.W. Wang, X. Zhao*, J. S. Dang*, J. Li*, Chem Catalysis, 2024, 4, 101059. (IF=11.5) (121) S. Li, C. W. Wang, X. Zhao*, J. S. Dang*, J. Li*, Journal of Physical Chemistry Letters, 2024, 15, 5088-5095. (120) M.K. Liu, Y.B. Han, Y.H. Cheng, X. Zhao*, H. Zheng*, Carbon, 2023, 213, 118180. (119) M.Y. Li*,X. Luo, Y.X. Zhao, W.X. Zhang, K. Yuan, X. Zhao*, Inorganic Chemistry, 2023, 62, 4618-4624. (118) Y.X. Zhao*, M.Y. Li, X. Zhao*, K. Yuan, W.X. Chen, Cell Reports Physical Science, 2023, 4, 101653. (117) W. W. Wang*, X. Zhao*, M. Ehara, Journal of Organic Chemistry, 2023, 88, 15783-15789. (116) Y. X. Gu, H. Zheng, D. H. Li, X. Zhao*, Journal of Physical Chemistry A, 2023, 127, 6012-6019. (115) Y.M. Xiong, M.Y. Li, H. Zheng, J.S. Dang, X. Zhao*, Organometallics, 2023, 42, 2784-2791. (114) J. He, J. Zhang, Y.H. Li, Y.B. Han, M. Y. Li, X. Zhao*, ACS Omega, 2023, 8, 22637-22645. (113) Z. Y. Qiu, X. Zhao*, J. S. Dang*, New Journal of Chemistry, 2023, 47, 6050-6053. (112) Y.X. Zhao, W. X. Chen, M.Y. Li, X. Zhao*, Organometallics, 2023, 42, 372-376. (111) W. X. Zhang, M. Y. Li, J. He, X. Zhao*, ACS Omega, 2022, 7, 42883-42889. (IF=4.132) (110) Y. B. Han, M.Y. Li, X. Zhao*, Physical Chemistry Chemical Physics, 2022, 24, 27467-27473.(IF=3.945) (109) Y.Q. Liu, Z.Y. Guo, Z.Y. Qiu, W. W. Wang, X. Zhao*, J. S. Dang*, ACS Appl. Mater. Inter., 2022,14, 46657-46664(IF=10.383) (108) M.Y. Li, R.S. Zhao, J.S. Dang*, X. Zhao*, Coordination Chemistry Reviews, 2022, 471, 214762 (12 pages). (IF=24.833) (107) Y.B. Sun, Y.Q. Liu, X. Zhao*, W.W. Wang, J.S.Dang*, ChemSusChem, 2022, 15, e202200930 (7 pages). (IF=9.140) (106) J. He, M.Y. Li, W.X. Zhang, X. Zhao*, Chemical Record, 2022, 22, e202200148 (11 pages). (IF=6.935) (105) Y. H. Li, J. Zhang, X. Zhao*, Morecular Catalysis , 2022, 524, 112287 (9 pages).(IF=5.089) (104) K. N. Zhang, H. Zheng*, Y. H. Cheng, X. Zhao*, Journal of Organic Chemistry, 2022, 87, 4702-4711. (IF=4.198) (103) Y. H. Li, Y. Zhou, J. Zhang, R. Y. Liu, X. Zhao*, Y. L. Wang*, Catalysis Science & Technology, 2022,12,1678-1684.(IF=6.177) (102) Y.Q. Liu, Z. Y. Qiu, X. Zhao*, W. W Wang, J. S. Dang*, Journal of Materials Chemistry A, 2021, 9, 25922-25926. (IF=14.511) (101) K. Zhang, H. Zheng, M. Y. Li, Y. H. Cheng, X. Zhao*, Inorganic Chemistry, 2021, 60, 12287-12296. (IF=5.436) (100) W. W Wang, F. L. Shang, X. Zhao*, Journal of Organic Chemistry, 2021, 86, 3785-3701.(IF=4.198) (99) M. Y. Li, Y. X. Zhao, K. Yuan, Y.B. Han, J.Zhang, Y. Wu, M. Ehara, S. Nagase, X. Zhao*, Organic Chemistry Frontiers, 2021, 8, 1551-1562.(IF=5.456) (98) M. Y. Li, Y.X. Zhao, Z. B. Gao, K. Yuan, X. Zhao*, Phys.Chem.Chem,Phys, 2021, 23, 11907-11916. (97) K. Zhang, H. Zheng, M. Y. Li, Q.Z. Li, Y.X. Zhao, X. Zhao*, Inorganic Chemistry, 2021, 60, 2425-2436. (96) W. Y. Li, Y.B. Sun, M.Y. Li, X.Y. Zhang, X. Zhao*, J.S. Dang*, Phys.Chem.Chem.Phys., 2021, 23, 2469-2474. (95) P. Sun, W.L. Wang, S. X. Qin, X. Zhao*, J.S. Dang*, Molecular Catalysis, 2021, 499, 111302. (94) Y. H. Li, X. Zhao*, ChemCatChem, 2020, 12, 6265-6271. (93) Y. X. Zhao, K. Yuan, M. Y. Li, X. Zhao*, Inorganic Chemistry Frontiers, 2020, 7, 4113-4117. (92) Y. X. Zhao, Y. B. Han, K. Yuan, M. Y. Li, M. Ehara, X. Zhao*, Inorganic Chemistry, 2020, 59, 12650-12658. (91) Y. H. Li, X. Zhao*, Phys.Chem.Chem.Phys., 2020, 22, 19606-19612. (90) Y. H. Li, X. Zhao*, Organic Chemistry Frontiers, 2020, 7, 1663-1670. (89) M. Y. Li, Y. X. Zhao,Y. B. Han, K. Yuan, K. N. Zhang, Y. Q. Chen, M. Ehara, S. Nagase, X. Zhao*, Inorganic Chemistry Frontiers, 2020, 7, 2538-2547. (88) W. W. Wang*, F. L. Shang, X. Zhao*, Organic Letters, 2020, 22, 4786-4791. (87) R. S. Zhao*, Z. Z. Liu, X. Zhao*, Inorganic Chemistry, 2020, 59, 8099-8107. (86) Y. H. Li, X. Zhao*, Catalysis Science & Technology, 2020, 10, 2415-2426. (85) M. Y. Li, Z. B. Gao, Y.B. Han, Y. X. Zhao, K. Yuan, S. Nagase, M. Ehara, X. Zhao*, Phys.Chem.Chem.Phys., 2020, 22, 4823-4831. (84) M. Y. Li, Y. X. Zhao, Y. B. Han, K. Yuan, S. Nagase, M. Ehara, X. Zhao*, ACS Applied Nano Materials, 2020, 3, 547-554. (83) W. W. Wang, F. L. Shang, X. Zhao*, Phys.Chem.Chem.Phys., 2020, 22, 976-980. (82) Y. X. Gu, H. Zheng, X. Zhao*, Journal of Physical Chemistry C, 2020, 124, 1135-1145. (81) P. Zhao, S. F. Hu, X. Lu, X. Zhao*, Journal of Organic Chemistry, 2019, 84, 14571-14578. (80) Y. X. Zhao, M. Y. Li, P. Zhao, M. Ehara, X. Zhao*, Inorganic Chemistry, 2019, 58, 14159-14166. (79) Y. X. Zhao, K. Yuan, M. Y. Li, M. Ehara, X. Zhao*, Inorganic Chemistry, 2019, 58, 10769-10777. (78) Y. X. Gu, Q. Z. Li, P. Zhao, X. Zhao*, Inorganic Chemistry, 2019, 58, 10629-10636. (77) Y. X. Zhao, M. Y. Li, Y. M. Xiong, S. Rahmani, K. Yuan, R. S. Zhao, M. Ehara, S. Nagase, X. Zhao*, Journal of Computational Chemistry, 2019, 40, 2730-2738. (76) W. Y. Li, X. Zhao*, J.S. Dang*, Journal of Materials Chemistry A, 2019, 7, 13935-13940. (75) Y. X. Zhao, M. Y. Li, R. S. Zhao, P. Zhao, K. Yuan, Q. Z. Li, X. Zhao*, J. Phys. Chem. C, 2018, 122, 13148-13155. (74) Q. Z. Li, J. J. Zheng, L. He, S. Nagase, X. Zhao*, Phys.Chem.Chem.Phys., 2018, 20, 14671-14678. (73) M. Y. Li , Y. X. Zhao, K. Yuan, R. S. Zhao, P. Zhao, X. Zhao*, Carbon, 2018, 132, 312-322. (72) P. Zhao, X. Zhao*, M. Ehara, Inorganic Chemistry, 2018, 57, 2961-2964. (71) W. W. Wang, J.S. Dang, X. Zhao*, S. Nagase, Nanoscale, 2017, 9, 16742-16748. (70) R.S. Zhao, K. Yuan, S.D. Zhao, X. Zhao*, M. Ehara, Inorganic Chemistry, 2017, 56, 10883-10890. (69) R.S. Zhao, K. Yuan, S.D. Zhao, M. Ehara, S. Nagase, J. Poblet, X. Zhao*, J. Phys. Chem. C, 2017, 121, 20481-20488. (68) P. Zhao, X. Zhao*, M. Ehara, Inorganic Chemistry, 2017, 56, 10195-10203. (67) J. S. Dang, W. W. Wang, X. Zhao*, S. Nagase, Organic Chemistry Frontiers, 2017, 4, 1757-1761. (66) Q.Z. Li, J. J. Zheng, L. He, X. Zhao*, S. Nagase, Journal of Organic Chemistry, 2017, 82, 6541-6549. (65) J.S. Dang, W.W. Wang, J.J. Zheng, X. Zhao*, S. Nagase, J. Comput. Chem., 2017, 38, 2241-2247. (64) J.S. Dang, W. W. Wang, J. J. Zheng, X. Zhao*, S. Nagase*, Phys.Chem.Chem.Phys., 2017, 19, 20773-20777. (63) J.S. Dang, W. W. Wang, J. J. Zheng, X. Zhao*, S. Nagase*, Inorganic Chemistry, 2017, 56, 6890-6896. (62) H. Zheng, X. Zhao*, S. Sakaki*, Inorganic Chemistry, 2017, 56, 6746-6754. (61) K. Yuan, R.S. Zhao, H. Zheng, N.Nagase, S.D. Zhao, Y. Z. Liu, X. Zhao*, J. Comput. Chem., 2017, 38, 730-739. (60) M. Yamada, Y. Tanabe, J. S. Dang, S. Sato, N. Mizorogi, M. Hachiya, M. Suzuki, H. Kurihara, Y. Maeda, X. Zhao, Y. F. Lian, S. Nagase, T. Akasaka, J. Am. Chem. Soc., 2016, 138, 16523-16532. (59) P. Zhao, X. Zhao*, M. Ehara, Journal of Organic Chemistry, 2016, 81, 8169-8174. (58) Q. Z. Li, J. J. Zheng, L. He, S. Nagase, X. Zhao*, Inorganic Chemistry, 2016, 55, 7667-7675. (57) L. Jin, Y. Wu*, X. Zhao*, RSC Advances, 2016, 6, 89836-89846. (56) J. S. Dang, W.W. Wang, X. Zhao*, S. Nagase, Inorganic Chemistry, 2016, 55, 6827-6830. (55) R. Z. Li, Z. Zeng, G. L. Hou, H. Xu, X. Zhao*, Y. Q. Gao*, W. J. Zheng*, J. Chem. Phys., 2016, 145, 184307. (54) W. J. Guan, P. Zhao, Q. Z. Li, S. Nagase, M. Ehara, X. Zhao*, RSC Advances, 2016, 6, 75588. (53) P. Zhao, J. S. Dang, X. Zhao*, Phys.Chem.Chem.Phys., 2016, 18, 9709. (52) W.W.Wang, J. S. Dang, X. Zhao*, S.Nagase, Journal of Physical Chemistry C, 2016, 120, 5673. (51) P. Zhao, M.Y. Li, Y. J. Guo, R.S. Zhao, X. Zhao*, Inorganic Chemistry, 2016, 55, 2220. (50) W.W.Wang, J. S. Dang, X. Zhao*, S.Nagase, Journal of Computational Chemistry, 2016, 37, 1363. (49) R.S.Zhao, Y.J.Guo, P. Zhao, M.Ehara, S.Nagase, X. Zhao*, J. Phys. Chem. C, 2016, 120, 1275. (48) P. Zhao, Y. J. Guo, R.S. Zhao, X. Zhao*, Chem. Phys. Lett. , 2016, 644, 35. (47) R.Z. Li, G.L. Guo, C.W. Liu, H.G. Xu, X. Zhao*, Y.Q. Gao*, W.J.Zheng*, Phys.Chem.Chem.Phys., 2016, 18, 557. (46) T. Maeda, T.Tsuchiya, T.Kikuchi, T. Yang, X. Zhao*, S. Nagase, X. Lu, T. Akasaka*, Carbon, 2016, 98, 67. (45) Q. Z. Li, J. J. Zheng, X. Zhao*, Journal of Physical Chemistry C, 2015, 119, 26196. (44) Y. J. Guo, X. Zhao*, P. Zhao, T. Yang, Journal of Physical Chemistry A, 2015, 119, 10428. (43) Y. J. Guo, H. Zheng, T. Yang, S. Nagase, X. Zhao*, Inorganic Chemistry, 2015, 54, 8066. (42) Q. Z. Li, J. J. Zheng, X. Zhao*, Phys.Chem.Chem.Phys., 2015, 17, 20485. (41) T. Yang, S.Nagase, T.Akasaka, J. Poblet, K.N. Houk, M. Ehara, X. Zhao* J. Am. Chem. Soc., 2015, 137, 6820. (40) K. Yuan, C. H. Zhou, Y. C. Zhu, X. Zhao* Phys.Chem.Chem.Phys., 2015, 17, 18802. (39) L. Jin, Y. Wu*, X. Zhao*, Journal of Organic Chemistry, 2015, 80, 3547. (38) K. Yuan, Y. J. Guo, X. Zhao*, Journal of Physical Chemistry C, 2015, 119, 5168. (37) R. S. Zhao, X. Zhao*, X. Gao, Chemistry – A European Journal, 2015, 21, 960. (36) K. Yuan, J. S. Dang, Y. J. Guo, X. Zhao*, Journal of Computational Chemistry, 2015. 36, 518. (35) Q. Z. Li, J. J. Zheng, J. S. Dang, X. Zhao*, ChemPhysChem, 2015. 16, 390. (34) H. Zheng, X. Zhao*, L. He, W. W. Wang, S. Nagase, Inorganic Chemistry, 2014, 53, 12911. (33) K. Yuan, Y. J. Guo, X. Zhao*, Phys.Chem.Chem.Phys., 2014. 16, 27053. (32) R. S. Zhao, X. Zhao*, RSC Advances, 2014, 4, 62465. (31) H. Zheng, J. J. Zheng, L. He, X. Zhao*, Journal of Physical Chemistry C, 2014, 118, 24723. (30) Y. J. Guo, T. Yang, S. Nagase, X. Zhao*, Inorganic Chemistry, 2014, 53, 2012. (29) J. S. Dang, W. W. Wang, X. Zhao*, S. Nagase*, Organic Letters, 2014, 16, 170. (28) P. Zhao, T. Yang, Y. J. Guo, J. S. Dang, X. Zhao*, S. Nagase J. Comput. Chem., 2014, 35, 1657. (27) Y. J. Guo, B. C. Gao, T. Yang, S. Nagase, X. Zhao* Phys.Chem.Chem.Phys., 2014. 16, 15994. (26) T. Yang, X. Zhao*, S. Nagase, T. Akasaka, Chemistry - An Asian Journal, 2014, 9, 2604. (25) T. Yang, X. Zhao*, S. Nagase* Organic Letters, 2013, 15, 5960. (24) H. Zheng, X. Zhao*, W. W. Wang, J. S. Dang, S. Nagase, J. Phys. Chem. C, 2013, 117, 25195. (23) T. Yang, X. Zhao*, S. Nagase, Journal of Computational Chemistry, 2013, 34, 2223 (22) J. J. Zheng, X. Zhao*, S. B. Zhang, X. F. Gao. Journal of Chemical Physics 2013. 138: 244708. (21) J. S. Dang, W. W. Wang, S. Nagase, X. Zhao*, Journal of Physical Chemistry C, 2013, 117, 12882. (20) J. S. Dang, J. J. Zheng, W. W. Wang, X. Zhao*, Inorganic Chemistry, 2013, 52, 4762. (19) J. J. Zheng, X. Zhao*, Y. L. Zhao, X. F. Gao* Scientific Reports , 2013, 3, 1271. (18) W. W. Wang, J. S. Dang, J. J. Zheng, X. Zhao*, S. Nagase J. Phys.Chem. C, 2013, 117, 2349. (17) T. Yang, X. Zhao*, S. Nagase Chemistry – A European Journal, 2013, 19(8), 2649 (16) T. Yang, X. Zhao*, S. Nagase Journal of Physical Chemistry C, 2012, 116, 21640. (15) T. Yang, X. Zhao*, S.-T. Li, S. Nagase, Inorganic Chemistry, 2012, 51, 11223. (14) Q. Xu, T. Yang, S.-T. Li, X. Zhao* Journal of Chemical Physics, 2012. 137: 154702. (13) Q. Xu, X. Zhao*. Physical Review B, 2012. 86(15): 155417. (12) W. W. Wang, J. S. Dang, J. J. Zheng, X. Zhao* Journal of Physical Chemistry C, 2012, 116, 17288. (11) J. S. Dang, W. W. Wang, J. J. Zheng, X. Zhao*, E. Ōsawa, S. Nagase Journal of Physical Chemistry C, 2012, 116, 16233. (10) Q. Xu, X. Zhao*, Journal of Materials Chemistry, 2012, 22, 16416. (9) W. W. Wang, J. S. Dang, J. J. Zheng, X. Zhao*, et al. Journal of Materials Chemistry, 2012, 22, 16370. (8) H. Zheng, J. Li, X. Zhao*, Dalton Transactions, 2012, 41, 14281. (7) H. Zheng, X. Zhao*, W. W. Wang, T. Yang, S. Nagase Journal of Chemical Physics, 2012, 137, 0143086. (6) H. Zheng, X. Zhao*, T. Ren, W. W. Wang, Nanoscale, 2012, 4, 4530. (5) L. Jin, Y. Wu, X. Zhao*, Organometallics, 2012, 31 (8), 3065. (4) T. Yang, X. Zhao*, Q. Xu, H. Zheng, W. W. Wang, S. T. Li, Dalton Transactions, 2012, 41(17),5294. (3) T. Yang, X. Zhao*, L. S. Li, J. J. Zheng, W. Y. Gao, ChemPhysChem, 2012, 13, 449. (2) C. H. Zhou, X. Zhao*, Journal of Computational Chemistry, 2012, 33, 861. (1) X. Zhao*, W.Y. Gao, T. Yang, J. J. Zheng, L. S. Li, L. He, et al. Inorganic Chemistry, 2012, 51, 2039.

学术兼职

日本(国立)分子科学研究所理论研究系 客座教授、JSPS访问教授 (2005.04-2012.03、2014.07-08、2016.01-02、2016.07-08、2017.01-02、2017.07-09、2018.01-02、2018.07-09、2019.01-02、2019.07-08、2020.01-02、2023.07-09, 2024.01-02, 2024.07-08,2025.01-02) 日本(国立)筑波大学先端科学研究中心 客座教授(2012.1-2012.2) 日本(国立)名古屋大学 理学部化学科 客座教授(2012.7-2012.8) 日本(国立)京都大学 福井谦一基础化学研究所(FIFC) 客座教授、JSPS访问教授(2013.7-2013.9、2015.7-2015.9) 中国化学会(CCS)理事:第29届(2015.01.01 - 2018.12.31)、 第30届 (2019.01.01 - 2022.12.31)、 第31届(2023.01.01 - 2026.12.31). 中国化学会(CCS)高级会员 (首批 2019年) 美国化学会(ACS)会员 日本化学会(CSJ)会员 美国材料研究学会(MRS)会员 日本纳米材料研究学会(FNRSJ)会员

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