Xuefeng Cui

ORCID: 0000-0003-0350-1495
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About
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Research Areas
  • Electronic and Structural Properties of Oxides
  • Catalytic Processes in Materials Science
  • Advanced Chemical Physics Studies
  • Semiconductor materials and devices
  • Molecular Junctions and Nanostructures
  • Advanced Photocatalysis Techniques
  • Surface and Thin Film Phenomena
  • TiO2 Photocatalysis and Solar Cells
  • 2D Materials and Applications
  • Machine Learning in Materials Science
  • Graphene research and applications
  • Computational Drug Discovery Methods
  • Catalysis and Oxidation Reactions
  • Spectroscopy and Quantum Chemical Studies
  • Gas Sensing Nanomaterials and Sensors
  • Quantum and electron transport phenomena
  • Electron and X-Ray Spectroscopy Techniques
  • ZnO doping and properties
  • Surface Chemistry and Catalysis
  • Perovskite Materials and Applications
  • Protein Structure and Dynamics
  • Geoscience and Mining Technology
  • Chalcogenide Semiconductor Thin Films
  • Force Microscopy Techniques and Applications
  • Iron-based superconductors research

University of Science and Technology of China
2016-2025

Hefei National Center for Physical Sciences at Nanoscale
2010-2025

Shandong University of Science and Technology
2022-2024

Northwestern Polytechnical University
2023

Wuhan University of Technology
2021-2022

System Simulation (United Kingdom)
2021

CAS Key Laboratory of Urban Pollutant Conversion
2020

University of Pittsburgh
2014-2017

Pittsburgh Quantum Institute
2016-2017

Chinese University of Hong Kong
2010

Joint strategy for surface chemistry Recent advances in the development of tip-based microscopy have led to angstrom-scale spatial resolution, but no technique provides univocal characterization structural and chemical heterogeneities species. Using a model system pentacene derivatives on Ag(110) surface, Xu et al. show that combination scanning tunneling microscopy, atomic force tip-enhanced Raman scattering electronic, structural, information sufficiently correlated an unambiguous...

10.1126/science.abd1827 article EN Science 2021-02-19

Breaking the strong covalent O–H bond of an isolated H2O molecule is difficult, but it can be largely facilitated when connected with others through hydrogen-bonding. How a hydrogen-bond network forms and performs becomes crucial for water splitting in natural photosynthesis artificial photocatalysis awaiting microscopic spectroscopic understanding at molecular level. At prototypical photocatalytic H2O/anatase-TiO2(001)-(1×4) interface, we report promote coupled proton hole transfer...

10.1021/jacs.2c03690 article EN Journal of the American Chemical Society 2022-07-19

Superconductivity is mutually exclusive with ferromagnetism, because the ferromagnetic exchange field often destructive to superconducting pairing correlation. Well-designed chemical and physical methods have been devoted realize their coexistence only by structural integrity of inherent ingredients. However, such in freestanding structure nonsuperconducting nonferromagnetic components still remains a great challenge up now. Here, we demonstrate molecule-confined engineering two-dimensional...

10.1021/jacs.7b10071 article EN Journal of the American Chemical Society 2017-10-25

We report our experimental study of the adsorption and diffusion CO on clean TiO(2)(110)-1 x 1 at an atom-resolved scale with in situ scanning tunneling microscopy 80 K, combined density functional theory calculations. Our results reveal that sites surface are preferentially located next-nearest-neighbor five-coordinate Ti atoms close to a bridge-bonded oxygen vacancy (BBO(V)), contrast idea BBO(V) itself acts as site for CO. The equilibrium distribution can be well-understood according...

10.1021/ja902259k article EN Journal of the American Chemical Society 2009-05-20

Vertically well-aligned ZnO nanorod arrays with three kinds of tip morphology—abruptly sharpened, tapered and plane—have been controllably fabricated wafer size uniformity by vapor phase transport condensation. Except that the morphology is distinctly different, all these nanorods are single crystalline, growing along their wurtzite ⟨0001⟩ axis, similar diameters, lengths densities. The field emission properties comparatively investigated found to be strongly affected morphology. A abruptly...

10.1088/0957-4484/21/22/225707 article EN Nanotechnology 2010-05-07

Molecular-level understanding of the dehydrogenation interfacial water molecules on metal oxides and their interactive nature relies ability to track motion light small hydrogen atoms, which is known be difficult. Here, we report precise measurements surface-facilitated process at terminal Ti sites TiO2(110) using scanning tunneling microscopy. Our measured hydrogen-bond dynamics H2O D2O reveal that vibrational electronic excitations dominate sequential transfer two H (D) atoms from a (D2O)...

10.1021/jacs.9b09132 article EN Journal of the American Chemical Society 2019-12-17

We have investigated the self-assembly of 2,4,6-tris(2-pyridyl)-1,3,5-triazine (TPTZ) molecule on Au(111) surface using an ultrahigh vacuum low-temperature scanning tunneling microscope. The TPTZ molecules form enantiomorphous domains composed rhombic supercells with various periods depending coverage molecules, that is, "1 × 1" and "2 2" structures at low coverages, "6 6", "7 7", "8 8" higher coverages. In a unit cell certain enantiomer, two triangular half-unit cells, consisting adsorbed...

10.1021/ja9001986 article EN Journal of the American Chemical Society 2009-04-01

We present the investigations of hydroxylated TiO2 (110)−1 × 1 surfaces using scanning tunneling microscopy (STM). It is observed that in topographic images protrusions hydroxyls (OH) on (110) are dependent tip−sample distance STM measurements at room temperature. In comparison with those fivefold coordinated Ti atoms and oxygen vacancies, relative apparent height OHs becomes smaller decreasing by changing imaging conditions. The even become invisible much shorter distances. Reversibly,...

10.1021/jp901657u article EN The Journal of Physical Chemistry C 2009-07-02

When exposed to an ultrafast laser pulse, electrons within graphite are warmed the same temperature as surface of Sun. This behavior could explain how light can turn into diamond and allow for efficient chemistry on graphitic materials.

10.1103/physrevx.7.011004 article EN cc-by Physical Review X 2017-01-17

We investigate the spectroscopy and photoinduced electron dynamics within conduction band of reduced rutile $\mathrm{Ti}{\mathrm{O}}_{2}(110)$ surface by multiphoton photoemission $(\mathrm{mPP})$ with wavelength tunable ultrafast $(\ensuremath{\sim}20\phantom{\rule{0.16em}{0ex}}\mathrm{fs})$ laser pulse excitation. Tuning $\mathrm{mPP}$ photon excitation energy between 2.9 4.6 eV reveals a nearly degenerate pair new unoccupied states located at $2.73\ifmmode\pm\else\textpm\fi{}0.05$...

10.1103/physrevb.91.155429 article EN publisher-specific-oa Physical Review B 2015-04-27

We systematically investigated the photocatalytic reaction of methanol on TiO2 (110)-(1 × 1) surface under irradiation with ultraviolet (UV) light performed at various conditions, using scanning tunneling microscopy (STM) jointed temperature-programmed desorption (TPD) techniques. Our STM and TPD results show that is indeed initiated from molecular 5-fold coordinated Ti sites, as commonly ascribed to oxidation by photogenerated holes, reflecting highly photoactive nature methanol. The...

10.1021/acs.jpcc.5b12010 article EN The Journal of Physical Chemistry C 2016-02-29

We present the measurements for diffusion of bridging oxygen vacancy (OV) crossover Ti rows via OV pairs (OVPs). Using a high-resolution scanning tunneling microscope (STM), we show that OVs can be moved along driven by STM tip at voltages higher than 3.0 V on TiO(2)(110)-(1x1) surface. It is found combination OVPs leads to formation OVPs, which diffuse under mediation in adjacent rows. The deduced activation energy diffusive from experiments agreement with first-principles calculations....

10.1063/1.2955448 article EN The Journal of Chemical Physics 2008-07-23

Abstract Transition metal oxides (TMOs) exhibit fascinating physicochemical properties, which originate from the diverse coordination structures between transition and oxygen atoms. Accurate determination of such structure-property relationships TMOs requires to correlate structural electronic properties by capturing global parameters with high resolution in energy, real, momentum spaces, but it is still challenging. Herein, we report characteristic environments on prototypical anatase-TiO 2...

10.1038/s41467-024-46570-8 article EN cc-by Nature Communications 2024-03-14

We report the investigation on adsorption behaviors of CO rutile TiO2(110)-1 × 1 surface with preadsorbed O adatoms using scanning tunneling microscopy (STM) joint density functional theory (DFT) calculations. The STM experimental results show that diffusive molecules tend to adsorb at site close adatoms, forming CO−O and CO−O−CO complexes. These complexes are quite stable against high bias voltages UV illumination. DFT calculations give an activation energy barrier 0.56 eV for oxidation...

10.1021/jp1059165 article EN The Journal of Physical Chemistry C 2010-09-30

Understanding the physics of surface plasmons and related phenomena requires knowledge spatial, temporal, spectral distributions total electromagnetic field excited within nanostructures their interfaces, which reflects mode excitation, confinement, propagation, damping. We present a microscopic spectroscopic study plasmonic response in single-crystalline Ag wires grown situ on Si(001) substrates. Excitation modes with broadly tunable (UV–IR) femtosecond laser pulses excites ultrafast...

10.1021/acsphotonics.6b00353 article EN ACS Photonics 2016-07-08

Two-dimensional (2D) materials with intrinsic room-temperature ferromagnetism have gathered tremendous interest as promising candidates for next-generation spintronics. Here, on the basis of first-principles calculations, we report a family stable 2D iron silicide (FeSix) alloys via dimensional reduction their bulk counterparts. Our results demonstrate that Fe4Si2-hex, Fe4Si2-orth, Fe3Si2, and FeSi2 nanosheets are lattice-dynamically thermally stable, confirmed by calculated phonon spectra...

10.1021/acs.nanolett.3c00113 article EN Nano Letters 2023-03-10

Excitonic insulators are long-sought-after quantum materials predicted to spontaneously open a gap by the Bose condensation of bound electron-hole pairs, namely, excitons, in their ground state. Since theoretical conjecture, extensive efforts have been devoted pursuing excitonic insulator platforms for exploring macroscopic phenomena real materials. Reliable evidence character has obtained layered chalcogenides as promising candidates. However, owing interference intrinsic lattice...

10.1021/jacs.4c06216 article EN Journal of the American Chemical Society 2024-07-18

We studied light and iron adatoms’ influence on debromination of 4,4′′-dibromo- p -terphenyl precursors forming poly( para -phenylene) wires via Ullmann coupling TiO 2 (110), using scanning tunneling microscopy X-ray photoemission spectroscopy.

10.1039/d4nr04407j article EN Nanoscale 2025-01-01

As conventional electronic materials approach their physical limits, the application of ultrafast optical fields to access transient states matter captures imagination. The inversion symmetry governs parity selection rule, differentiating between accessible and inaccessible matter. To circumvent parity-forbidden transitions, common practice is break by material design or external fields. Here we report how femtosecond ultraviolet pulses can energize a dark exciton state in black phosphorus...

10.1038/s41467-025-58930-z article EN cc-by-nc-nd Nature Communications 2025-04-29

We report our investigation on the intrinsic chemical activity of anatase TiO2(001)-(1 × 4) reconstructed surface, using epitaxially grown TiO2(001) thin films and methanol molecules as a probe, characterized by combining scanning tunneling microscopy temperature-programmed desorption. Our results provide direct evidence that perfect (1 lattice sites surface are intrinsically quite inert for reaction methanol. obtain activation energy desorption molecular is about 0.55–0.64 eV, which in good...

10.1021/acs.jpcc.6b12917 article EN The Journal of Physical Chemistry C 2016-12-27

When a metal single-atom (SA) catalyst is supported on semiconducting photocatalyst, the charge transfer of photoexcited carriers to SAs can provide synergetic activity for co-catalysts. Here, we report interfacial electronic coupling Au TiO2(110) surface using scanning tunneling microscopy/spectroscopy, in combination with first-principles calculations. Distinct energy and spatial distributions metal-induced gap states (MIGSs) are experimentally revealed adsorbed at terminal Ti sites oxygen...

10.1021/acs.jpclett.9b01527 article EN The Journal of Physical Chemistry Letters 2019-07-31
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