Sai Duan

University of Science and Technology of China — China

Materials Science · Physical Sciences

32h-index4.9kcitations100works28.62yr avg
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Research Topics

Gold and Silver Nanoparticles Synthesis and Applications(31), Molecular Junctions and Nanostructures(23), Spectroscopy and Quantum Chemical Studies(21), Spectroscopy Techniques in Biomedical and Chemical Research(14), Electrochemical Analysis and Applications(14)

Publications100 total

Theoretical prediction for monitoring Jahn-Teller vibrational evolution using real-space tip-enhanced Raman imaging
Nature Communications·2026· 1 citedOpen Access
Multiscale simulation of Raman images of water hexamers in a plasmonic nanocavity
The Journal of Chemical Physics·2026
Separated Energy Domains in the Sequential Hydration of a Benzonitrile Radical Cation
Precision Chemistry·2025Open Access
Visualization of hydrogen isotope exchange in single molecule by tip-enhanced Raman images
The Journal of Chemical Physics·2025
Theoretical simulation of the STM and Raman images of phthalocyanine and deprotonated phthalocyanine molecules
Physical review. B./Physical review. B·2025· 1 cited
Unveiling the Angstrom-Scale Interfacial Electron Spillover through the Metal/Electrolyte Interface
Journal of the American Chemical Society·2025· 3 cited
Reconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscope Images via Artificial Intelligence Approaches
JACS Au·2025· 3 citedOpen Access
First-Principles Insights into the Effect of Spin-Insulating Substrates on Molecular Kondo States
The Journal of Physical Chemistry Letters·2025
Ultrastable supported oxygen evolution electrocatalyst formed by ripening-induced embedding
Science·2025· 198 cited
Reconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscopy Images via Artificial Intelligence Approaches
arXiv (Cornell University)·2025Open Access
Surface-enhanced Raman spectroscopy: a half-century historical perspective
Chemical Society Reviews·2024· 213 citedOpen Access
Extracting Thermodynamic Properties of Carbyne from Tip-Enhanced Raman Scattering Images
The Journal of Physical Chemistry Letters·2024· 1 cited
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra
The Journal of Physical Chemistry Letters·2024· 4 cited
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra
2024Open Access
Theoretical and computational methods for tip- and surface-enhanced Raman scattering
Chemical Society Reviews·2024· 33 cited
How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H<sub>2</sub>
University Chemistry·2024
Accurate Simulations of Scanning Tunneling Microscope: Both Tip and Substrate States Matter
The Journal of Physical Chemistry Letters·2023· 11 cited
Direct characterization of shear phonons in layered materials by mechano-Raman spectroscopy
Nature Photonics·2023· 17 cited
Pyridinic Nitrogen Modification for Selective Acetylenic Homocoupling on Au(111)
Journal of the American Chemical Society·2023· 24 cited
Exploiting the Momentum Distribution in Atomically Confined Plasmonic Fields by Inelastic Scatterings
The Journal of Physical Chemistry Letters·2023· 10 cited
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Frequent Co-authors

Yi Luo(26), Zhong‐Qun Tian(18), Xin Xu(14), De‐Yin Wu(11), Guangjun Tian(11), Bin Ren(10), Jian‐Feng Li(8), Feng Ru Fan(4), Ping‐Ping Fang(4), Zhen Xie(4), Wei Hu(4), Xiyu Li(3), Jun Jiang(3), Zhen‐Chao Dong(3), Tonghao Shen(3), Yongfei Ji(3), Chaoyu Li(3), Hans Ågren(3), Xiumin Liu(2), Jun Yi(2)