Water at interfaces
The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …
technological processes and in the environment. Examples of aqueous interfaces are …
Solvent effects on catalytic reactions and related phenomena at liquid-solid interfaces
Catalytic reactions involve the direct interaction of reactants, intermediates and products with
the catalyst surface. We not only need to control the atomic structure and electronic …
the catalyst surface. We not only need to control the atomic structure and electronic …
Water dissociation at the water–rutile TiO2(110) interface from ab initio-based deep neural network simulations
The interaction of water with TiO2 surfaces is of crucial importance in various scientific fields
and applications, from photocatalysis for hydrogen production and the photooxidation of …
and applications, from photocatalysis for hydrogen production and the photooxidation of …
Resolving the odd–even oscillation of water dissociation at rutile TiO2 (110)–water interface by machine learning accelerated molecular dynamics
Aqueous rutile TiO 2 (110) is the most widely studied water–oxide interface, and yet
questions about water dissociation are still controversial. Theoretical studies have …
questions about water dissociation are still controversial. Theoretical studies have …
Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles
S Benkoula, O Sublemontier, M Patanen, C Nicolas… - Scientific reports, 2015 - nature.com
We describe an experimental method to probe the adsorption of water at the surface of
isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the …
isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the …
Theoretical calculation of a TiO2-based photocatalyst in the field of water splitting: A review
B Li, S Wu, X Gao - Nanotechnology Reviews, 2020 - degruyter.com
Currently, energy and environmental problems are becoming more serious. The use of solar
energy to split water and produce clean, renewable hydrogen as an energy source is a …
energy to split water and produce clean, renewable hydrogen as an energy source is a …
The surface state of hematite and its wetting characteristics
Apart from being a resource for iron/steel production, the iron oxide minerals, goethite and
hematite, are used in the paint, cosmetics, and other industries as pigments. Surface …
hematite, are used in the paint, cosmetics, and other industries as pigments. Surface …
Coupling of Surface Chemistry and Electric Double Layer at TiO2 Electrochemical Interfaces
Surfaces of metal oxides at working conditions are usually electrified because of the acid–
base chemistry. The charged interface compensated with counterions forms the so-called …
base chemistry. The charged interface compensated with counterions forms the so-called …
ReaxFF reactive force field study of the dissociation of water on titania surfaces
We studied the adsorption and dissociation of water at 300 K on the following TiO2 surfaces:
anatase (101),(100),(112),(001), and rutile (110) at various water coverages, using a …
anatase (101),(100),(112),(001), and rutile (110) at various water coverages, using a …
[HTML][HTML] Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics
Ab initio molecular dynamics simulations are reported for water-embedded TiO 2 surfaces to
determine the diffusive and reactive behavior at full hydration. A three-domain model is …
determine the diffusive and reactive behavior at full hydration. A three-domain model is …