开元体育

Research field:

Potential energy surfaces andquantum reaction dynamics of gas and surface reaction systems

Educational background:

2021-2016, Ph. D., physical chemistry,School of Chemistry and Chemical Engineering, Nanjing University (Supervisor:Professor Xie Daiqian)

2007-2011, B. S., applied chemistry,College of Chemistry, Sichuan University.

Working experience

Nov. 2019 -, associate professor,Kuang Yaming Honors School, Nanjing University

July 2016 - Nov. 2019,researcher, School of Chemistry and Chemical Engineering, Nanjing University

Jan. 2017 – Aug. 2017,visiting scholar, Department of Chemistry and Bio-chemistry, University ofNew Mexico

Research projects:

2017 – 2019, led the project “Quantumdynamics studies for the reactions of O(3P) with HO2 and C2H2 incombustion of hydrocarbon fuel” funded by National Natural Science Foundationof China (¥600,000)

2020 – 2022, led the project “Kineticson acetylene combustion based on synchrotron radiation vacuum ultravioletphotoionization mass spectrometry and accurate theoretical calculations” fundedby National Natural Science Foundation of China (¥600,000)

2021 – 2024, led the project “Theoreticalinvestigations on potential energy surfaces and state-to-statephotodissociation dynamics of the electronic excited states of somesulfur-bearing small molecules” funded by National Natural Science Foundationof China (¥640,000)

2022 – 2024, led the project“Theoreticalstudies on the quantum dynamics for complex small molecule reaction systems”funded by National Natural Science Foundation of China (¥2000,000)

Major papers:

(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 laws revealed byfull-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 based full-dimensional potentialenergy surface for OH + O2 reversible arrow HO3 and low-lying vibrationallevels 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 withatomic oxygen: from the global potential energy surface to rate coefficientsand branching dynamics. Phys. Chem. Chem.Phys. 2019, 21, 1408.

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

(13)    Yang, D.; Hu, X.; Zhang, D.H.; Xie, D. An improved coupled-states approximation including the nearestneighbor Coriolis couplings for diatom-diatom inelastic collision. J. Chem. Phys. 2018, 148, 084101.

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