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Towards H2 Production from Water and Ethanol Interactions on Hydrated Tio2(101): Insights from Reaxff Molecular Dynamics
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Synthesis of eosin modified TiO2 film with co-exposed {001} and {101} facets for photocatalytic degradation of para-aminobenzoic acid and solar H2 production
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The effect of anatase TiO2 surface structure on the behavior of ethanol adsorption and its initial dissociation step: A DFT study
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Ni-doped TiO2 nanotubes photoanode for enhanced photoelectrochemical water splitting
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High surface area TiO2 photocatalyst for H2 production through silicon micromachining
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Photocatalytic production of hydrogen from biomass-derived feedstocks
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Hydrothermally derived nanosized Ni-doped TiO2: A visible light driven photocatalyst for methylene blue degradation
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Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting
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Unusual Structure and Dynamics at Silica/Methanol and Silica/Ethanol Interfaces—A Molecular Dynamics and Nonlinear Optical Study
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Leaching and Reactivity at the Sodium Aluminosilicate Glass–Water Interface: Insights from a ReaxFF Molecular Dynamics Study
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Mechanistic Investigation and Free Energies of the Reactive Adsorption of Ethanol at the Alumina/Water Interface
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Mechanism of Ethanol Photooxidation on Single-Crystal Anatase TiO2(101)
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Exploring Rutile (110) and Anatase (101) TiO2 Water Interfaces by Reactive Force-Field Simulations
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Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces
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Atomic Scale Insights into the First Reaction Stages Prior to Al/CuO Nanothermite Ignition: Influence of Porosity
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ReaxFF Reactive Force Field Study of the Dissociation of Water on Titania Surfaces
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Simulation of Titanium Metal/Titanium Dioxide Etching with Chlorine and Hydrogen Chloride Gases Using the ReaxFF Reactive Force Field
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Dominant role of OH − and Ti 3+ defects on the electronic structure of TiO 2 thin films for water splitting
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Initial stage of titanium oxidation in Ti/CuO thermites: a molecular dynamics study using ReaxFF forcefields
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Behaviors of sodium and calcium ions at the borosilicate glass–water interface: Gaining new insights through an ab initio molecular dynamics study
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Direct Evidence for Ethanol Dissociation on Rutile TiO2(110)
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Nonequilibrium Equality for Free Energy Differences
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Theoretical calculation of a TiO 2 -based photocatalyst in the field of water splitting: A review
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