Keju Sun
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View article: Dual‐Terminal Molecular Strategy for Robust and Reversible Supramolecular Adhesion
Dual‐Terminal Molecular Strategy for Robust and Reversible Supramolecular Adhesion Open
Achieving strong yet reversible adhesion via minimalist molecular design remains a critical challenge for next‐generation supramolecular materials. Here, a dual‐end modular adhesion strategy is presented based on a small organic molecule i…
View article: New Insights into Heavy Metal Sequestration Through Metal‐Phenolic Network‐Confined Nano‐HFO: Overlooking Iron Utilization and Modulating Electron Density
New Insights into Heavy Metal Sequestration Through Metal‐Phenolic Network‐Confined Nano‐HFO: Overlooking Iron Utilization and Modulating Electron Density Open
Reducing toxic metal concentrations to trace levels remains a critical challenge in water remediation, largely due to the underutilization of hydrous ferric oxide (HFO), particularly within its inner layers. Herein, we present a novel stra…
View article: Role of V–V dimerization on electronic and magnetic properties of ilmenite-type CoVO<sub>3</sub>
Role of V–V dimerization on electronic and magnetic properties of ilmenite-type CoVO<sub>3</sub> Open
Structural, electronic and magnetic properties of ilmenite-type CoVO 3 have been explored via the generalized gradient approximation + effective Hubbard U eff correction, in the framework of density functional theory. Our results indicate …
View article: A structure-sensitive descriptor for the design of active sites on MoS<sub>2</sub>catalysts
A structure-sensitive descriptor for the design of active sites on MoS<sub>2</sub>catalysts Open
cn, a metric based on the number of sulfur atoms coordinated to Mo atoms, captures the trends in adsorption energies and activation energies of various species on MoS 2 (001) catalysts with sulfur vacancies.
View article: Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces
Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces Open
Activating water and methanol is crucial in numerous catalytic, electrocatalytic, and photocatalytic reactions. Despite extensive research, the optimal active sites for water/methanol activation are yet to be unequivocally elucidated. Here…
View article: CCDC 2044524: Experimental Crystal Structure Determination
CCDC 2044524: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2044523: Experimental Crystal Structure Determination
CCDC 2044523: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2044528: Experimental Crystal Structure Determination
CCDC 2044528: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2003833: Experimental Crystal Structure Determination
CCDC 2003833: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1910557: Experimental Crystal Structure Determination
CCDC 1910557: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Trends in C–O and N–O bond scission on rutile oxides described using oxygen vacancy formation energies
Trends in C–O and N–O bond scission on rutile oxides described using oxygen vacancy formation energies Open
Oxygen vacancy formation energy is a simple and accurate descriptor for C–O and N–O bond scissions on 3d-rutile oxides.