Review on multi-dimensional assembled S-scheme heterojunction photocatalysts
J Lu, S Gu, H Li, Y Wang, M Guo, G Zhou - Journal of Materials Science & …, 2023 - Elsevier
S-scheme heterostructure photocatalysts utilize the synergistic and superposition effects of
materials, effectively separating electrons and holes, maintaining strong redox capacity, and …
materials, effectively separating electrons and holes, maintaining strong redox capacity, and …
Recent advances, application and prospect in g-C3N4-based S-scheme heterojunction photocatalysts
P Hao, Z Chen, Y Yan, W Shi, F Guo - Separation and Purification …, 2024 - Elsevier
Semiconductor photocatalytic technology has great potential in solar energy utilization and
conversion and meets people's demand for sustainable development. In recent years …
conversion and meets people's demand for sustainable development. In recent years …
Electrochemical surface-enhanced Raman spectroscopy
Electrochemical surface-enhanced Raman spectroscopy (EC-SERS) is a
spectroelectrochemical method that has been in existence since the first SERS …
spectroelectrochemical method that has been in existence since the first SERS …
A direct observation of up-converted room-temperature phosphorescence in an anti-Kasha dopant-matrix system
J Li, X Li, G Wang, X Wang, M Wu, J Liu… - Nature …, 2023 - nature.com
It is common sense that emission maxima of phosphorescence spectra (λ P) are longer than
those of fluorescence spectra (λ F). Here we report a serendipitous finding of up-converted …
those of fluorescence spectra (λ F). Here we report a serendipitous finding of up-converted …
Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling
This review spotlights the role of atomic‐level modeling in research on metal‐organic
frameworks (MOFs), especially the key methodologies of density functional theory (DFT) …
frameworks (MOFs), especially the key methodologies of density functional theory (DFT) …
[HTML][HTML] A guide to in silico drug design
The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …
few candidates progress from hit compound to a commercially available product, often due …
ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis set
A new composite density functional theory (DFT) method is presented. It is based on ωB97X-
V as one of the best-performing density functionals for the GMTKN55 thermochemistry …
V as one of the best-performing density functionals for the GMTKN55 thermochemistry …
Computational and Machine Learning Methods for CO2 Capture Using Metal–Organic Frameworks
H Mashhadimoslem, MA Abdol, P Karimi… - ACS …, 2024 - ACS Publications
Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made
significant progress and provided benefits in the fields of chemistry and material science …
significant progress and provided benefits in the fields of chemistry and material science …
DFT-Enabled Development of Hemilabile (P∧N) Ligands for Gold(I/III) RedOx Catalysis: Application to the Thiotosylation of Aryl Iodides
Ligand-enabled oxidative addition of Csp2-X bonds to Au (I) centers has recently appeared
as a valuable strategy for the development of catalytic RedOx processes. Several cross …
as a valuable strategy for the development of catalytic RedOx processes. Several cross …
Comment on “Benchmarking basis sets for density functional theory thermochemistry calculations: Why unpolarized basis sets and the polarized 6-311G family should …
Recently, McKemmish and co-workers 1 reported bench-mark calculations on the
performance of density functional theory (DFT) for thermochemistry and barrier heights …
performance of density functional theory (DFT) for thermochemistry and barrier heights …