All Stories

  1. Effects of Plasmon Modes on Resonant Raman Images of a Single Molecule

    Article • The Journal of Physical Chemistry Letters, December 2019, American Chemical Society (ACS)

    Dr Sai Duan

  2. Bistability for CO Oxidation: An Understanding from Extended Phenomenological Kinetics Simulations

    Article • ACS Catalysis, November 2019, American Chemical Society (ACS)

    Dr Sai Duan

  3. Optomagnetic Effect Induced by Magnetized Nanocavity Plasmon

    Article • Journal of the American Chemical Society, August 2019, American Chemical Society (ACS)

    Dr Sai Duan

  4. Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution

    Article • Nature Energy, June 2019, Springer Science + Business Media

    Dr Sai Duan

  5. Monitoring Hydrogen/Deuterium Tautomerization in Transient Isomers of Single Porphine by Highly Localized Plasmonic Field

    Article • The Journal of Physical Chemistry C, April 2019, American Chemical Society (ACS)

    Dr Sai Duan

  6. Numerical investigations on the electromagnetic enhancement effect to tip-enhanced Raman scattering and fluorescence processes

    Article • Journal of Physics Condensed Matter, February 2019, Institute of Physics Publishing

    Dr Sai Duan

  7. Mechanism for the Extremely Efficient Sensitization of Yb3+Luminescence in CsPbCl3 Nanocrystals

    Article • The Journal of Physical Chemistry Letters, January 2019, American Chemical Society (ACS)

    Dr Sai Duan

  8. Theoretical modeling of tip-enhanced resonance Raman images of switchable azobenzene molecules on Au(111)

    Article • Nanoscale, January 2018, Royal Society of Chemistry

    Dr Sai Duan

  9. Gauge invariant theory for super high resolution Raman images

    Article • The Journal of Chemical Physics, May 2017, American Institute of Physics

    Dr Sai Duan

  10. Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives.

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, April 2017, Elsevier

    Dr Sai Duan

  11. Lighting up long-range charge-transfer states by a localized plasmonic field

    Article • Nanoscale, January 2017, Royal Society of Chemistry

    Dr Sai Duan

  12. Identifying the structure of 4-chlorophenyl isocyanide adsorbed on Au(111) and Pt(111) surfaces by first-principles simulations of Raman spectra

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Sai Duan

  13. Theoretical modeling of surface and tip-enhanced Raman spectroscopies

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, December 2016, Wiley

    Dr Sai Duan

  14. Theory for Modeling of High Resolution Resonant and Nonresonant Raman Images

    Article • Journal of Chemical Theory and Computation, September 2016, American Chemical Society (ACS)

    Dr Sai Duan

  15. Probing the Electronic Structure of Heterogeneous Metal Interfaces by Transition Metal Shelled Gold Nanoparticle-Enhanced Raman Spectroscopy

    Article • The Journal of Physical Chemistry C, September 2016, American Chemical Society (ACS)

    Dr Sai Duan

  16. Optical Excitation in Donor–Pt–Acceptor Complexes: Role of the Structure

    Article • The Journal of Physical Chemistry A, May 2016, American Chemical Society (ACS)

    Dr Sai Duan

  17. Quasi-Analytical Approach for Modeling of Surface-Enhanced Raman Scattering

    Article • The Journal of Physical Chemistry C, December 2015, American Chemical Society (ACS)

    Dr Sai Duan

  18. Rücktitelbild: Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy (Angew. Chem. 3/2016)

    Article • Angewandte Chemie, December 2015, Wiley

    Dr Sai Duan

  19. Back Cover: Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy (Angew. Chem. Int. Ed. 3/2016)

    Article • Angewandte Chemie International Edition, December 2015, Wiley

    Dr Sai Duan

  20. Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy

    Article • Angewandte Chemie International Edition, November 2015, Wiley

    Dr Sai Duan

  21. Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy

    Article • Angewandte Chemie, November 2015, Wiley

    Dr Sai Duan

  22. Significant Contributions of the Albrecht’sATerm to Nonresonant Raman Scattering Processes

    Article • Journal of Chemical Theory and Computation, November 2015, American Chemical Society (ACS)

    Dr Sai Duan

  23. Theoretical Modeling of Plasmon-Enhanced Raman Images of a Single Molecule with Subnanometer Resolution

    Article • Journal of the American Chemical Society, August 2015, American Chemical Society (ACS)

    Dr Sai Duan

  24. Molecular Design to Enhance the Thermal Stability of a Photo Switchable Molecular Junction Based on Dimethyldihydropyrene and Cyclophanediene Isomerization

    Article • The Journal of Physical Chemistry C, May 2015, American Chemical Society (ACS)

    Dr Sai Duan

  25. Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions

    Article • Chemical Physics, May 2015, Elsevier

    Dr Sai Duan

  26. Infrared spectra of small anionic water clusters from density functional theory and wavefunction theory calculations

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Sai Duan

  27. The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Sai Duan

  28. Theoretical simulations of potential of zero charge for a Pt(111) electrode immersed in electrolyte solution with medium concentra-tions at room temperature

    Article • Scientia Sinica Chimica, January 2015, Science China Press., Co. Ltd.

    Dr Sai Duan

  29. Feasible Catalytic Strategy for Writing Conductive Nanoribbons on a Single-Layer Graphene Fluoride

    Article • The Journal of Physical Chemistry C, October 2014, American Chemical Society (ACS)

    Dr Sai Duan

  30. Aggregation-induced chiral symmetry breaking of a naphthalimide–cyanostilbene dyad

    Article • Physical Chemistry Chemical Physics, September 2014, Royal Society of Chemistry

    Dr Sai Duan

  31. Roles of Plasmonic Excitation and Protonation on Photoreactions ofp-Aminobenzenethiol on Ag Nanoparticles

    Article • The Journal of Physical Chemistry C, April 2014, American Chemical Society (ACS)

    Dr Sai Duan

  32. Tuning electronic and magnetic properties of armchair|zigzag hybrid graphene nanoribbons by the choice of supercell model of grain boundaries

    Article • Journal of Applied Physics, March 2014, American Institute of Physics

    Dr Sai Duan

  33. The Realistic Domain Structure of As-Synthesized Graphene Oxide from Ultrafast Spectroscopy

    Article • Journal of the American Chemical Society, August 2013, American Chemical Society (ACS)

    Dr Sai Duan

  34. Oxidation Mechanism of Si(111)-7 × 7 by Water: A Theoretical Study

    Article • The Journal of Physical Chemistry C, August 2013, American Chemical Society (ACS)

    Dr Sai Duan

  35. Density functional theory study on the adsorption and decomposition of the formic acid catalyzed by highly active mushroom-like Au@Pd@Pt tri-metallic nanoparticles

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Sai Duan

  36. Thermal effects on electronic properties of CO/Pt(111) in water

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Sai Duan

  37. Hybrid molecular dynamics and first-principles study on the work function of a Pt(111) electrode immersed in aqueous solution at room temperature

    Article • Physical Review B, July 2012, American Physical Society (APS)

    Dr Sai Duan

  38. Molecular polarization bridging physical and chemical enhancements in surface enhanced Raman scattering

    Article • Chemical Communications, January 2011, Royal Society of Chemistry

    Dr Sai Duan

  39. A density functional theory approach to mushroom-like platinum clusters on palladium-shell over Au core nanoparticles for high electrocatalytic activity

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Sai Duan

  40. Tailoring Au-core Pd-shell Pt-cluster nanoparticles for enhanced electrocatalytic activity

    Article • Chemical Science, January 2011, Royal Society of Chemistry

    Dr Sai Duan

  41. Structures of Water Molecules Adsorbed on a Gold Electrode under Negative Potentials

    Article • The Journal of Physical Chemistry C, March 2010, American Chemical Society (ACS)

    Dr Sai Duan

  42. SERS and DFT study of water on metal cathodes of silver, gold and platinum nanoparticles

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Dr Sai Duan

  43. Epitaxial Growth of Heterogeneous Metal Nanocrystals: From Gold Nano-octahedra to Palladium and Silver Nanocubes

    Article • Journal of the American Chemical Society, June 2008, American Chemical Society (ACS)

    Dr Sai Duan

  44. Chemical Enhancement Effects in SERS Spectra:  A Quantum Chemical Study of Pyridine Interacting with Copper, Silver, Gold and Platinum Metals

    Article • The Journal of Physical Chemistry C, March 2008, American Chemical Society (ACS)

    Dr Sai Duan

  45. Theoretical Study of Binding Interactions and Vibrational Raman Spectra of Water in Hydrogen-Bonded Anionic Complexes:  (H2O)n-(n= 2 and 3), H2O···X-(X = F, Cl, Br, and I), and H2O···M-(M = Cu, Ag, and Au)

    Article • The Journal of Physical Chemistry A, February 2008, American Chemical Society (ACS)

    Dr Sai Duan

  46. Effect of Intrinsic Properties of Metals on the Adsorption Behavior of Molecules:  Benzene Adsorption on Pt Group Metals

    Article • The Journal of Physical Chemistry, September 2006, American Chemical Society (ACS)

    Dr Sai Duan

  47. Orientation Change of Adsorbed Pyrazine on Roughened Rhodium Electrodes as Probed by Surface-Enhanced Raman Spectroscopy

    Article • The Journal of Physical Chemistry, September 2005, American Chemical Society (ACS)

    Dr Sai Duan

  48. Density functional theory study of surface-enhanced Raman scattering spectra of pyridine adsorbed on noble and transition metal surfaces

    Article • Journal of Raman Spectroscopy, January 2005, Wiley

    Dr Sai Duan