Professor Xie received a doctorate degree in physics chemistry from the Institute of Theoretical Chemistry, Jilin University in 1988. In 2008, he got the Outstanding Young Chemist Award of Chinese Chemical Society.In 2002,he was awarded the 3rd Ministry of Education Young Teachers Award. In 2007,he was honored with the National Science Fund for Distinguished Young Scholars. He has made important achievements in the construction of high precise molecular potential energy surface and state-to-state reaction dynamics,which revealled a number of important microscopic mechanisms.He has published more than 300 papers, including three on Science (collaborated with experimentalists),two on PNAS, three on JACS and one on Chem. Sci., Inter. Rev. Phys.
Projects
NSFC：“State-to-state quantum dynamics study for complex polyatomic system ”，2018.1-2022.12
NSFC：“Study on energy transfer dynamics in high-energy chemical lasers”，2016.1-2020.12
NSFC：“Quantum dynamics studies for the reactions of O(3P) with HO2 and C2H2 in combustion of the hydrocarbon fuel”，2017.1-2019.12
NSFC：“Surface scattering dynamics study of vibrational-excited molecules”，2015.1-2017.12
973 Program：“Study on chemical reaction dynamics of polyatomic system”，2013.1-2017.12
NSFC: “Theoretical and experimental research on the state-to-state dynamics of molecular photodissociation process”，2012.1-2016.12
NSFC: “Quantum dynamics study on the reaction of nitrogen - containing atoms with free radicals at low temperature”，2013.1-2016.12
NSFC: “Dynamics study of vibrational excited state molecules”，2013.1-2015.12
Representative papers
An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D., Nonadiabatic Electronic Energy Transfer in Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling? Journal of Physical Chemistry Letters,11, 4768 (2020).
Yang, D.; Zuo, J.; Huang, J.; Hu, X.; Dawes, R.; Xie, D.; Guo, H., A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime. Journal of Physical Chemistry Letters,11, 2605 (2020).
Liu, Y.; Song, H.; Xie, D.; Li, J.; Guo, H., Mode Specificity in the OH + HO2 -> H2O + O-2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode. Journal of the American Chemical Society,142, 3331 (2020).
Xie, C.; Zhao, B.; Malbon, C. L.; Yarkony, D. R.; Xie, D.; Guo, H., Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol. Journal of Physical Chemistry Letters,11, 191 (2020).
Yang, D.; Huang, J.; Hu, X.; Guo, H.; Xie, D., Breakdown of Energy Transfer Gap Laws Revealed by Full-dimensional Quantum Scattering Between HF Molecules. Nature Communications,10, 4658 (2019).
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., Hydroxyl Super Rotors from Vacuum Ultraviolet Photodissociation of Water. Nature Communications,10, 1250 (2019).
Han, S.; Zheng, X.; Ndengue, S.; Song, Y.; Dawes, R.; Xie, D.; Zhang, J.; Guo, H., Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO. Science Advances,5, eaau0582 (2019).
Hu, X.; Zhou, L.; Xie, D., State-to-state Photodissociation Dynamics of the Water Molecule. Wiley Interdisciplinary Reviews-Computational Molecular Science,8, e1350 (2018).
Xie, C.; Malbon, C. L.; Yarkony, D. R.; Xie, D.; Guo, H., Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State. Journal of the American Chemical Society,140, 1986 (2018).
Zuo, J.; Xie, C.; Guo, H.; Xie, D., Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment. Journal of Physical Chemistry Letters,8, 3392 (2017).
Jiang, B.; Yang, M.; Xie, D.; Guo, H., Quantum Dynamics of Polyatomic Dissociative Chemisorption on Transition Metal Surfaces: Mode Specificity and Bond Selectivity. Chemical Society Reviews,45, 3621 (2016).
Xie, C.; Ma, J.; Zhu, X.; Yarkony, D. R.; Xie, D.; Guo, H., Nonadiabatic Tunneling in Photodissociation of Phenol. Journal of the American Chemical Society,138, 7828 (2016).
Zhou, Y.; Xie, D.; Zhang, Y., Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot Peptides. Journal of Physical Chemistry Letters,7, 1138 (2016).
Lei, J.; Zhou, Y.; Xie, D.; Zhang, Y., Mechanistic Insights into a Classic Wonder Drug-Aspirin. Journal of the American Chemical Society,137, 70 (2015).
Xie, C.; Ma, J.; Zhu, X.; Zhang, D. H.; Yarkony, D. R.; Xie, D.; Guo, H., Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band. Journal of Physical Chemistry Letters,5, 1055 (2014).
Li, J.; Carter, S.; Bowman, J. M.; Dawes, R.; Xie, D.; Guo, H., High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO). Journal of Physical Chemistry Letters,5, 2364 (2014).
Whitehill, A. R.; Xie, C.; Hu, X.; Xie, D.; Guo, H.; Ono, S., Vibronic Origin of Sulfur Mass-independent Isotope Effect in Photoexcitation of SO2 and the Implications to the Early Earth's Atmosphere. Proceedings of the National Academy of Sciences of the United States of America,110, 17697 (2013).
Jiang, B.; Liu, R.; Li, J.; Xie, D.; Yang, M.; Guo, H., Mode Selectivity in Methane Dissociative Chemisorption on Ni(111). Chemical Science,4, 3249 (2013).
Jiang, B.; Xie, D.; Guo, H., Vibrationally Mediated Bond Selective Dissociative Chemisorption of HOD on Cu(111). Chemical Science,4, 503 (2013).
Jiang, B.; Ren, X.; Xie, D.; Guo, H., Enhancing Dissociative Chemisorption of H2O on Cu(111) Via Vibrational Excitation. Proceedings of the National Academy of Sciences of the United States of America,109, 10224 (2012).
Daranlot, J.; Jorfi, M.; Xie, C.; Bergeat, A.; Costes, M.; Caubet, P.; Xie, D.; Guo, H.; Honvault, P.; Hickson, K. M., Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction. Science,334, 1538 (2011).
Lin, S.; Xie, D.; Guo, H., Methyl Formate Pathway in Methanol Steam Reforming on Copper: Density Functional Calculations. Acs Catalysis,1, 1263 (2011).
Sun, Z.; Zhang, D. H.; Xu, C.; Zhou, S.; Xie, D.; Lendvay, G.; Lee, S.-Y.; Lin, Y.; Guo, H., State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior. Journal of the American Chemical Society,130, 14962 (2008).
Wang, X.; Dong, W.; Xiao, C.; Che, L.; Ren, Z.; Dai, D.; Wang, X.; Casavecchia, P.; Yang, X.; Jiang, B.; Xie, D.; Sun, Z.; Lee, S.-Y.; Zhang, D. H.; Werner, H.-J.; Alexander, M. H., The Extent of Non-Born-Oppenheimer Coupling in the Reaction of Cl(P-2) With Para-H-2. Science,322, 573 (2008).
Qiu, M. H.; Ren, Z. F.; Che, L.; Dai, D. X.; Harich, S. A.; Wang, X. Y.; Yang, X. M.; Xu, C. X.; Xie, D. Q.; Gustafsson, M.; Skodje, R. T.; Sun, Z. G.; Zhang, D. H., Observation of Feshbach Resonances in the F+H-2 -> HF+H Reaction. Science,311, 1440 (2006).