科研领域描述

气相以及表面反应体系的高精度势能面构建与量子反应动力学研究

教育经历

2011-2016     理学博士  南京大学化学与化工学院物理化学专业（导师：谢代前教授）

2007-2011     理学学士  四川大学化学学院  应用化学专业

工作经历

2019.11 至今        副教授   南京大学匡亚明学院

2016.07-2019.11     专职科研南京大学化学与化工学院

2017.01-2017.08      访问学者美国新墨西哥大学化学与化学生物学院

主持科研项目

2022-2024国家自然科学基金优秀青年科学基金项目, 复杂小分子反应体系的量子动力学理论研究, 200万元, 主持，在研

2021–2024国家自然科学基金面上项目，含硫小分子电子激发态势能面与态-态光解动力学的理论研究，64万元，主持，在研

2020–2022国家自然科学基金联合基金培育项目，基于同步辐射真空紫外光电离质谱和高精度理论计算的乙炔燃烧动力学研究，60万元，主持，在研

2017–2019 国家自然科学基金重大研究计划培育项目，碳氢燃料燃烧过程中氧原子与HO2及C2H2反应的量子动力学研究，60万元，主持，已结题 

代表性论文

(1)          Chang, Y.; An, F.; Chen, Z.; Luo, Z.; Zhao, Y.; Hu, X.; Yang, J.; Zhang,W.; Wu, G.; Xie, D.; Yuan, K.; Yang, X., Vibrationally excited molecularhydrogen production from the water photochemistry. Nat. Commun. 2021, 12 (1), 6303-6303.

(2)          Chang, Y.; Yu, Y.; An, F.; Luo, Z.; Quan, D.; Zhang, X.; Hu, X.; Li, Q.;Yang, J.; Chen, Z.; Che, L.; Zhang, W.; Wu, G.; Xie, D.; Ashfold, M. N. R.;Yuan, K.; Yang, X., Three body photodissociation of the water molecule and itsimplications for prebiotic oxygen production. Nat. Commun. 2021, 12 (1), 2476-2476.

(3)          Chen, Q.; Zhang, S.; Hu, X.; Xie, D.; Guo, H., Reaction Pathway Controlvia Reactant Vibrational Excitation and Impact on Product VibrationalDistributions: The O + HO2 → OH + O2 Atmospheric Reaction. J. Phys. Chem. Lett.2022, 13 (7),1872-1878.

(4)          Chen, Q.; Hu, X.;Guo, H.; Xie, D. Insights into the Formation of Hydroxyl Radicals withNonthermal Vibrational Excitation in the Meinel Airglow. J. Phys. Chem. Lett. 2021, 12, (7), 1822.

(5)          Chang, Y.; Li, Q.; An, F.; Luo, Z.; Zhao, Y.; Yu, Y.; He, Z.; Chen, Z.;Che, L.; Ding, H.; Zhang, W.; Wu, G.; Hu, X.; Xie, D.; Plane, J. M. C.; Feng,W.; Western, C. M.; Ashfold, M. N. R.; Yuan, K.; Yang, X. Water Photolysis andIts Contributions to the Hydroxyl Dayglow Emissions in the Atmospheres of Earthand Mars. J. Phys. Chem. Lett. 2020,11, 9086.

(6)          Chang, Y.; An, F.; Li, Q.; Luo, Z.; Che, L.; Yang, J.; Chen, Z.; Zhang,W.; Wu, G.; Hu, X.; Xie, D.; Yuan, K.; Yang, X. Electronically Excited OHSuper-rotors from Water Photodissociation by Using Vacuum UltravioletFree-Electron Laser Pulses. J. Phys. Chem. Lett. 2020, 11, (18), 7617.

(7)          An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D. Nonadiabatic Electronic EnergyTransfer in the Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling orSpin-Orbit Coupling? J. Phys. Chem. Lett. 2020, 11, (12), 4768.

(8)      Yang,D.; Huang, J.; Hu, X.; Guo, H.; Xie, D. Breakdown of energy transfer gap lawsrevealed by full-dimensional quantum scattering between HF molecules. Nature Communications 2019, 10, 4658.

(9)      Chang, Y.; Yu, Y.; Wang,H.; Hu, X.; Li, Q.; Yang, J.; Su, S.; He, Z.; Chen, Z.; Che, L.; Wang, X.;Zhang, W.; Wu, G.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X. Hydroxylsuper rotors from vacuum ultraviolet photodissociation of water. Nature Communications 2019, 10, 1250.

(10)    Hu,X.; Zuo, J.; Xie, C.; Dawes, R.; Guo, H.; Xie, D. An ab initio basedfull-dimensional potential energy surface for OH + O2 reversible arrow HO3 andlow-lying vibrational levels of HO3. Phys.Chem. Chem. Phys. 2019, 21,13766.

(11)    Zuo, J.; Chen, Q.; Hu, X.; Guo, H.; Xie, D.Dissection of the multichannel reaction of acetylene with atomic oxygen: fromthe global potential energy surface to rate coefficients and branchingdynamics. Phys. Chem. Chem. Phys. 2019,21, 1408.

(12)    Hu,X.; Zhou, L.; Xie, D. State-to-state photodissociation dynamics of the watermolecule. WIRES-Comput. Mol. Sci.2018, 8, e1350.

(13)    Yang,D.; Hu, X.; Zhang, D. H.; Xie, D. An improved coupled-states approximationincluding the nearest neighbor Coriolis couplings for diatom-diatom inelasticcollision. J. Chem. Phys. 2018, 148, 084101.

(14)    Hu,X.; Zhou, Y.; Jiang, B.; Guo, H.; Xie, D. Dynamics of carbon monoxidedissociation on Co(11-20). Phys. Chem.Chem. Phys. 2017, 19, 12826.