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Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations
Free accessArXiv | 2024| -
Probing Confinement Effects on the Infrared Spectra of Water with Deep Potential Molecular Dynamics Simulations
American Chemical Society | 2023| -
Elucidating the water–anatase TiO2(101) interface structure using infrared signatures and molecular dynamics
American Institute of Physics | 2023| -
Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics
American Chemical Society | 2023| -
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach
American Chemical Society | 2023| -
Enhanced hydrogen bonding via epoxide-functionalization restricts mobility in poly(ethylenimine) for CO2 capture
Royal Society of Chemistry | 2023| -
Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H2 and O2 Evolution
American Chemical Society | 2023| -
Oxidized organic molecules in the tropical free troposphere over Amazonia
Free accessArXiv | 2023|
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