EDUCATION

Ph.D. in Physical Chemistry

Institute of Chemistry, Chinese Academy of Sciences

Jul. 2000 – Jul. 2003

M.S. in Physical Chemistry

Institute of Chemistry, Chinese Academy of Sciences

Jul. 1997 – Jul. 2000

B.S. in Polymer Science

Xi'an Jiaotong University

Jul. 1993 – Jul. 1997

PROFESSIONAL APPOINTMENTS

Professor

School of Chemistry Science and Engineering, Tongji University

Jan. 2017 – Present

Associate Professor

School of Chemical Science and Engineering, Tongji University

Oct. 2013 – Dec. 2016

Associate Professor

College of Materials Science and Opto–Electronic Technology,

University of Chinese Academy of Sciences

Mar. 2010 – Sep. 2013

Postdoctoral Researcher

Washington State University / Pacific Northwest National Laboratory, USA

Research Focus: Photoelectron velocity mapping of multiply charged anions

Aug. 2007 – Oct. 2009

Postdoctoral Researcher

Harvard University, USA

Research Focus: Trapped cluster ion electron diffraction methods

Oct. 2003 – May 2007

RESEARCH INTERESTS

1. Gas–phase atomic cluster physical chemistry

2. Cluster beam technology

3. Time–of–flight mass spectrometry and ion trap–related software and hardware technologies

MAJOR RESEARCH PROJECTS

1. National Natural Science Foundation of China (Youth Fund) (2012 – 2014): Kinetic study of the reaction of gaseous gold cluster ions with CO/O₂

2. National Natural Science Foundation of China (General Program) (2013 – 2016): Structure and reaction characteristics of platinum–group metal–carrier–type oxide composite cluster ions

3. National Natural Science Foundation of China (General Program) (2017 – 2020): Reactions of group IB metal cluster ions (0–1 nm) with CO, O₂, NO: Fitting binding energy values using kinetic measurements

4. Ministerial Level Special Project (2022 – 2024)

5. National Natural Science Foundation of China (General Program) (2023 – 2026): Study on the chemical properties of gold clusters bonded with single – atom dopants and their periodic analysis

6. National Natural Science Foundation of China (Cluster Major Special Integration Project – Subproject) (2025 – 2027): Construction and application of metal cluster spectroscopy datasets (cluster beam–related technologies)

ACADEMIC ACHIEVEMENTS

Our research group has established an experimental apparatus for studying the chemical reactivity of metal clusters over a wide size range. This apparatus includes an ion source capable of generating metal clusters from a few atoms to nanoscale size, a temperature – controlled continuous–flow reactor, and a high–frequency time–of–flight mass spectrometer. It can accurately characterize the chemical reactivity of various metal and semiconductor cluster ions over a wide size range. With the aid of quantum chemical calculations, ion infrared photodissociation spectra, and photoelectron spectra, it can reveal the relationship between the chemical properties of atomic clusters over a wide size range and their geometric and electronic structures.

Our previous research has revealed the close correlation between the chemical reactivity of pure group IB metal clusters and small molecules such as O₂and NO and the electronic structure of the clusters. It has also revealed the mechanism by which metal or non – metal atoms doped into group IB metal clusters regulate their chemical reactivity. Recently, we discovered a unique open – shell cluster, Bi₁₈⁻, with special geometric and electronic structures and significant inertness. Its unique structure provides important information for constructing stable Bi – based nanostructures.

SELECTED PUBLICATIONS

47. Huang, L. L.; Liu, W.;Xing, X. P.,* Decomposition of Au_nO^-Clusters into Gold Oxide and Metallic Components: Unraveling the Impact of Single-Atom Oxygen on the Reactivity Modulation.Journal of Chemical Physics 2025,163, 064307.

46. Hu, X. T.; Liu, W.;Xing, X. P.,* An Innovative Inter-Spectral Distance-Based Approach toAnalyzing MALDI-TOF Mass Spectra of Closely Related Microbial Species.Rapid Communicationsin Mass Spectrometry 2025, 39, e10121.

45. Zou, G. P.; Huang, L. L.; Liu, W.; Hu, J.;Xing, X. P.,* Silicon Dopants Create Unique Active Sites on Gold Clusters toward Reactions with O₂.Journal of Physical Chemistry C 2025,129, 1206-1215.

44. Qiao, Z. Y.;* Hu, J.; Du, Q. Y.; Li, L.;Xing, X. P.;* Cao, Y. J.;* Zhao, J. J.,* Superatomic 1s Orbital-Mediated Ethylene Activation on Ag_n^-Clusters.Journal of Chemical Physics 2025,163,094305.

43. Ma, J.; Chen, T.T.;* Li, H. L.; Bumüller, D.; Weigend, F.; Jian, T.; Kappes, M. M.; Schooss, D.;* Li, W. L.;* Xing X. P.;* Wang L. S.,* On the remarkable resistance to oxidation by the Bi18- cluster.Science Advances 2024,10, eads4724.

42. Hu, J.;Xing, X. P.;* Wang, X. F.,* A Coppoborylene Stabilized by Multicenter Covalent Bonding and Its Amphoteric Reactivity to CO.Angewandte Chemie-International Edition 2024,63, e20240375.

41. Du, Q. Y.; Luo, Z. X.;* Xing, X. P.;* Zhao, J. J.,* Gas Phase Reactions of Pristine and Single-Atom-Doped Copper and Silver Clusters: Probing Size-Dependent Stability and Novel Superatoms.Journal of Physical Chemistry Letters 2024,15, 11383-11394.

40. Hu, J.; Huang, L. L.; Liu, W.; Jin, Z. Q.; Wang, X. F.;* Xing, X. P.,* Adsorption of O₂on Cationic Gold Clusters: Analyses on Bonding Strength and Extent of Activation.Chinese Journal of Chemical Physics 2024,37, 351-360.

39. Hu, J.; Ma, J.; Jin, Z. Q.; Liu, W.; Huang, L. L.; Wang, X. F.;* Xing, X. P.,* Reactivity of Cationic Silver Clusters with O₂: A Probe of Interplay between Clusters' Geometric and Electronic Structures.Physical Chemistry Chemical Physics 2024,26, 7407-7415.

38. Huang, L. L.; Liu, W.;Xing, X. P.,* Adsorption of O₂on the Preferred -O-Au Sites of Small Gold Oxide Clusters: Charge-Dependent Interaction and Activation.Molecules 2024,29, 1645.

37. Liu, W.; Huang, L. L.; Hu, J.;Xing, X. P.,* Adsorption of Multiple NO Molecules on Anionic Gold Clusters: Electron Transfer and Disproportionation Enhanced by Molecular Aggregation.Journal of Physical Chemistry A 2024,128, 4297-4307.

36. Hu, J.;Xing, X. P.;* Wang, X. F.,* Formation of Delocalized Linear M-B-M Covalent Bonds: A Combined Experimental and Theoretical Study of BM₂(CO)₈⁺(M = Co, Rh, Ir) Complexes.Inorganic Chemistry 2024,63, 13459-13467.

35. Han, C. C.; Liu, W.; Huang, L. L.; Xiong, X. G.; Dong, C. W.;* Xing, X. P.;* Liu, H. T., Probing the Geometric and Electronic Structure of Rhodium Oxide Clusters (RhO)_n^-(n= 2-4) by Anion Photoelectron Spectroscopy and Theoretical Calculations.Journal of Molecular Structure 2024,1318.

34. Hu, J.; Xin, K.; Lin, X.;Xing, X. P.;* Wang, X. F.,* Infrared Photodissociation Spectroscopy of Mass-Selected Dinuclear Transition Metal Boride Carbonyl Cluster Cations.Journal of Physical Chemistry A 2024,128, 2049-2057.

33. Du, Q. Y.; Huang, L. L.; Fu, J. Q.; Cao, Y. J.;Xing, X. P.;* Zhao, J. J.,* Single Atom Alloy Clusters Ag_n-1X^-(X = Cu, Au;n= 7-20) Reacting with O₂: Symmetry-Adapted Orbital Model.Journal of Chemical Physics 2023,158, 014306.

32. Liu, W.; Huang, L. L.; Meng, L.; Hu, J.;Xing, X. P.,* The Global Minimum of Ag₃₀: A Prolate Spheroidal Structure Predicted Using a Genetic Algorithm with Incomplete Local Optimizations at the DFT Level.Physical Chemistry Chemical Physics 2023,25, 14303-14310.

31. Huang, L. L.; Liu, W.; Hu, J.;Xing, X. P.,* Adsorption and Activation of O₂on Small Gold Oxide Clusters: The Reactivity Dominated by Site-Specific Factors.Journal of Physical Chemistry A 2022,126, 5594-5603.

30. Liu, W.; Huang, L. L.; Hu, J.;Xing, X. P.,* Various Bond Interactions between NO and Anionic Gold Clusters: A Theoretical Calculation.Physical Chemistry Chemical Physics 2022,24, 13641-13650.

29. Zhou, Y. Y.; Liu, H.; Jin, X. Y.;Xing, X. P.;* Wang, X. F.; Wang, G. J.;Zhou, M. F.,* Significant Π Bonding in Coinage Metal Complexes OC-TM-CCO^-from Infrared Photodissociation Spectroscopy and Theoretical Calculations.Journal of Chemical Physics 2022,157, 014302.

28. Du, Q. Y.; Hu, J.;Xing, X. P.;*Zhou, S.;* Zhao, J. J.,* Single O Atom Doped Ag Cluster Cations for CO Oxidation: An O-Doped Superatom Ag₁₅O⁺with Remarkable Stability.Journal of Physical Chemistry C 2021,125, 7067-7076.

27. Huang, L. L.; Liu, W.; Hu, J.;Xing, X. P.,* Exploring the Effects of a Doping Silver Atom on Anionic Gold Clusters' Reactivity with O₂.Journal of Physical Chemistry A 2021,125, 9995-10005.

26. Ma, J.; Wang, T. T.; Yang, J. J.; Hu, J.;Xing, X. P.,* Adsorption and Reactions of NO Molecules on Anionic Gold Clusters in the Size Range Below 1 nm: Effects of Clusters' Global Electronic Properties.Physical Chemistry Chemical Physics 2020,22, 25227-25235.

25. Yin, B. Q.; Wang, T. T.; Chen, Y. J.; Yang, J. J.; Wang, G. J.;Xing, X. P.,* Cooperative Bonding Interactions of Various Oxygen Species on the IB Group Metal Anions.International Journal of Mass Spectrometry 2020,451. 116312.

24. Wang, T. T.; Ma, J.; Yin, B. Q.;Xing, X. P.,* Adsorption of O₂on Anionic Gold Clusters in the 0-1 nm Size Range: An Insight into the Electron Transfer Dynamics from Kinetic Measurements.Journal of Physical Chemistry A 2018,122, 3346-3352.

23. Cao, X. Z.; Chen, M. Y.; Ma, J.; Yin, B. Q.;Xing, X. P.,* CO Oxidation by the Atomic Oxygen on Silver Clusters: Structurally Dependent Mechanisms Generating Free or Chemically Bonded CO₂.Physical Chemistry Chemical Physics 2017,19, 196-203.

22. Cao, X. Z.; Yin, B. Q.; Wang, T. T.;Xing, X. P.,* Exploring the Interactions of Atomic Oxygen on Silver Clusters with Hydrogen.Chinese Journal of Chemical Physics 2017,30, 685-690.

21. Ma, J.; Cao, X. Z.; Chen, M. Y.; Yin, B. Q.;Xing, X. P.;* Wang, X. F., Low-Temperature Disproportionation Reaction of NO on Au₆^-: A Mechanism Involving Three NO Molecules Promoted by the Negative Charge.Journal of Physical Chemistry A 2016,120, 9131-9137.

20. Wang, J.; Yan, Q. B.; Ma, J.; Cao, X. Z.;Xing, X. P.;* Wang, X. F. Exploring the low-lying structures of Au_n(CO)⁺(n= 1-10): adsorption and stretching frequencies of CO on various coordination sites.Rsc Advances 2016, 6, 8248-8255.

19. Ma, J.; Cao, X. Z.;Xing, X. P.;* Wang, X. F.; Parks, J. H. Adsorption of O₂on anionic silver clusters: spins and electron binding energies dominate in the range up to nano sizes.Physical Chemistry Chemical Physics 2016,18, 743-748.

18. Ma, J.; Cao, X. Z.; Liu, H.; Yin, B. Q.;Xing, X. P.* The adsorption and activation of NO on silver clusters with sizes up to one nanometer: interactions dominated by electron transfer from silver to NO.Physical Chemistry Chemical Physics 2016,18, 12819-12827.

17. Liu, H.;Xing, X. P.;* Wang, X. F.; Qu, H.; Wang, G. J.; Zhou, M. F.* Co-Adsorption of O₂and CO on Au₂^-: Infrared Photodissociation Spectroscopy and Theoretical Study of Au₂O₂(CO)_n^-(n= 2-6).Chemistry-A European Journal 2016, 22, 2085-2091.

16.Xing, X. P.; Li, X.; Yoon, B.; Landman, U.;* Parks, J. H.* Dynamic fluxionality and enhanced CO adsorption in the presence of coadsorbed H₂O on free gold cluster cations.International Journal of Mass Spectrometry 2015, 377, 393-402.

15. Xie, H.; Liu, Z. L.;Xing, X. P.;*Tang, Z. C.* Infrared photodissociation spectroscopy of MO(CO)₅⁺(M = Sc, Y, La and Ce) in the gas phase.Chemical Physics Letters 2015, 628, 66-70.

14. Liu, X.;Xing, X. P.;* Zhao, J.; Wang, X. F.* Reactions of Mg and Mg₂with SO₂in Low-Temperature Matrices: Association or Insertion?Journal of Physical Chemistry A 2015,119, 610-619.

13. Xie, H.; Wang, J.; Qin, Z. B.; Shi, L.; Tang, Z. C.;*Xing, X. P.* Octacoordinate Metal Carbonyls of Lanthanum and Cerium: Experimental Observation and Theoretical Calculation.Journal of Physical Chemistry A 2014,118, 9380-9385.

12.Xing, X. P.; Wang, G. J.; Wang, C. X.; Zhou, M. F. Infrared Photodissociation Spectroscopy of Ti⁺(CO₂)₂Ar and Ti⁺(CO₂)_n(n= 3-7) Complexes.Chinese Journal of Chemical Physics 2013, 26, 687-693.

Selected works before joining Tongji

11. Zhao, L. J.; Xie, H.; Liu, Z. L.; Wang, J.;Xing, X. P.;* Tang, Z. C.* Structure and Bonding in MPb₅^-(M = Cu, Ag, and Au): A Combined Investigation by Theoretical Calculations and Photoelectron Imaging Spectroscopy.Journal of Physical Chemistry A 2013,117, 2325-2332.

10.Xing, X. P.; Wang, J.; Xie, H.; Liu, Z. L.; Qin, Z. B.; Zhao, L. J.; Tang, Z. C.* Octacoordinate metal carbonyls of scandium and yttrium: theoretical calculations and experimental observation.Rapid Communications in Mass Spectrometry 2013, 27, 1403-1409.

9. Xie, H.; Li, X. Y.; Zhao, L. J.; Liu, Z. L.; Qin, Z. B.; Wu, X.; Tang, Z. C.;*Xing, X. P.* Vibrationally Resolved Photoelectron Imaging of Cu₂H^-and AgCuH^-and Theoretical Calculations.Journal of Physical Chemistry A 2013,117, 1706-1711.

8. Xie, H.; Li, X. Y.; Zhao, L. J.; Qin, Z. B.; Wu, X.; Tang, Z. C.;*Xing, X. P.* PhotoelectronImaging and Theoretical Calculations of Bimetallic Clusters: AgCu^-, AgCu₂^-, and Ag₂Cu^-.Journal of Physical Chemistry A 2012,116, 10365-10370.

7.Xing, X. P.; Wang, X. B.; Wang, L. S.* Photoelectron Imaging of Doubly Charged Anions,^-O₂C(CH₂)_nCO₂^-(n= 2-8): Observation of Near 0 eV Electrons Due to Secondary Dissociative Autodetachment.Journal of Physical Chemistry A 2010,114, 4524-4530.

6.Xing, X. P.; Wang, X.B.; Wang, L. S.* Photoelectron Angular Distribution and Molecular Structure in Multiply Charged Anions,Journal of Physical Chemistry A 2009, 113, 945-948. (Cover)

5.Xing, X. P.; Wang, X. B.; Wang, L. S.* Photoelectron Imaging of Multiply Charged Anions: Effects of Intramolecular Coulomb Repulsion and Photoelectron Kinetic Energies on Photoelectron Angular Distributions,Journal of Chemical Physics 2009, 130, 074301.

4.Xing, X. P.; Wang, X. B.; Wang, L. S.* Imaging Intramolecular Coulomb Repulsions in Multiply Charged Anions,Physical Review Letters 2008, 101, 083003.

3. J. H. Parks,X. P. Xing（2007）“Trapped Ion Electron Diffraction: Structural Evolution of Silver and Gold Clusters” in The Chemical Physics of Solid Surfaces Volume 12: Atomic Clusters: from Gas Phase to Deposited, D. P. Woodruff (Ed.) Elsevier, New York

2.Xing, X. P.; Yoon, B.; Landman, U.;* Parks, J. H.* Structural Evolution of Au Nanoclusters: From Planar to Cage to Tubular Motifs,Physical Review B 2006, 74, 165423.

1.Xing, X. P.; Danell, R. M.; Garzon, I. L.; Michaelian, K.; Blom, M. N.; Burns, M. M.; Parks, J. H.* Size-Dependent Fivefold and Icosahedral Symmetry in Silver Clusters,Physical Review B 2005, 72, 081405.(Rapid Communication)