Sijie Luo

Hunan Normal University — China

Materials Science · Physical Sciences

10h-index1.2kcitations21works0.02yr avg
OpenAlex↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Catalytic Processes in Materials Science(5), Advanced Chemical Physics Studies(4), Machine Learning in Materials Science(4), Plasmonic and Surface Plasmon Research(3), Photonic and Optical Devices(2)

Publications21 total

A fluorescent probe for sulfur dioxide reveals intracellular reductive stress triggered by natural antioxidants
Chemical Communications·2025
Unimolecular Tandem Nano-Amplifiers for Imaging Signaling Molecules during Wound Healing in Zebrafish
Analytical Chemistry·2025
Research on Adaptive Reclosing Technology for Low-Voltage Distribution Networks
2024
Directional light scattering by germanium trimer and its metasurface structures under the substrate effects
Optics Communications·2021· 6 cited
Compact hybrid plasmonic slot waveguide sensor with a giant enhancement factor for surface-enhanced Raman scattering application
Optics Express·2021· 7 citedOpen Access
Threshold conditions of electric field enhancement and energy confinement in the low-index core of nanoscale waveguides
Applied Optics·2020· 2 cited
Correction to Multiconfiguration Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2015· 6 cited
Computational Electrochemistry. Voltages of Lithium-Ion Battery Cathodes
The Journal of Physical Chemistry B·2015· 6 cited
Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals
Journal of Chemical Theory and Computation·2014· 308 cited
Multiconfiguration Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2014· 497 citedOpen Access
Ligand-Mediated Ring → Cube Transformation in a Catalytic Subnanocluster: Co<sub>4</sub>O<sub>4</sub>(MeCN)<sub><i>n</i></sub> with <i>n</i> = 1–6
The Journal of Physical Chemistry Letters·2014· 5 citedOpen Access
Density Functional Theory: Toward Better Understanding of Complex Systems in Chemistry and Physics
University of Minnesota Digital Conservancy (University of Minnesota)·2014· 1 citedOpen Access
Density Functional Theory on the Studies of Lithium Battery Materials
Bulletin of the American Physical Society·2014
Noncollinear Spin States for Density Functional Calculations of Open-Shell and Multi-Configurational Systems: Dissociation of MnO and NiO and Barrier Heights of O<sub>3</sub>, BeH<sub>2</sub>, and H<sub>4</sub>
Journal of Chemical Theory and Computation·2013· 17 cited
Density Functional Theory of Open-Shell Systems. The 3d-Series Transition-Metal Atoms and Their Cations
Journal of Chemical Theory and Computation·2013· 76 cited
Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe<sub>2</sub>(dobdc)
Inorganic Chemistry·2013· 43 citedOpen Access
The Structure of Silica Surfaces Exposed to Atomic Oxygen
The Journal of Physical Chemistry C·2013· 35 cited
Improved CO Adsorption Energies, Site Preferences, and Surface Formation Energies from a Meta-Generalized Gradient Approximation Exchange–Correlation Functional, M06-L
The Journal of Physical Chemistry Letters·2012· 70 cited
How Evenly Can Approximate Density Functionals Treat the Different Multiplicities and Ionization States of 4d Transition Metal Atoms?
Journal of Chemical Theory and Computation·2012· 38 cited
Noncollinear Spins Provide a Self-Consistent Treatment of the Low-Spin State of a Biomimetic Oxomanganese Synthetic Trimer Inspired by the Oxygen Evolving Complex of Photosystem II
The Journal of Physical Chemistry Letters·2011· 42 cited
page 1 of 2Next →

Frequent Co-authors

Donald G. Truhlar(14), Laura Gagliardi(3), Suoming Wang(3), Yanying Zhu(3), Erkuang Zhu(3), Giovanni Li Manni(2), Rebecca K. Carlson(2), Dongxia Ma(2), Jeppe Olsen(2), Yan Zhao(2), Shuqing Chen(2), Sheng Yang(2), Guhuan Liu(2), Patanachai Janthon(1), Sergey M. Kozlov(1), Francesc Viñes(1), Jumras Limtrakul(1), Francesc Illas(1), Борис Б. Аверкиев(1), Ke Yang(1)