Water at charged interfaces

G Gonella, EHG Backus, Y Nagata… - Nature Reviews …, 2021 - nature.com
The ubiquity of aqueous solutions in contact with charged surfaces and the realization that
the molecular-level details of water–surface interactions often determine interfacial functions …

Fundamentals of TiO2 Photocatalysis: Concepts, Mechanisms, and Challenges

Q Guo, C Zhou, Z Ma, X Yang - Advanced Materials, 2019 - Wiley Online Library
Photocatalysis has been widely applied in various areas, such as solar cells, water splitting,
and pollutant degradation. Therefore, the photochemical mechanisms and basic principles …

Correlated electron–nuclear dynamics of photoinduced water dissociation on rutile TiO2

P You, D Chen, X Liu, C Zhang, A Selloni, S Meng - Nature Materials, 2024 - nature.com
Elucidating the mechanism of photoinduced water splitting on TiO2 is important for
advancing the understanding of photocatalysis and the ability to control photocatalytic …

Single Molecule Photocatalysis on TiO2 Surfaces: Focus Review

Q Guo, Z Ma, C Zhou, Z Ren, X Yang - Chemical reviews, 2019 - ACS Publications
Heterogeneous photocatalysis has been widely applied in various fields, such as
photovoltaic cell, solar water splitting, photocatalytic pollutant degradation, and so on …

Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

Z Zeng, F Wodaczek, K Liu, F Stein, J Hutter… - Nature …, 2023 - nature.com
Water adsorption and dissociation processes on pristine low-index TiO2 interfaces are
important but poorly understood outside the well-studied anatase (101) and rutile (110). To …

Theoretical insights into the surface physics and chemistry of redox-active oxides

R Rousseau, VA Glezakou, A Selloni - Nature Reviews Materials, 2020 - nature.com
Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …

Water dissociation at the water–rutile TiO2(110) interface from ab initio-based deep neural network simulations

B Wen, MF Calegari Andrade, LM Liu… - Proceedings of the …, 2023 - pnas.org
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 …

Insights into interface engineering in steam reforming reactions for hydrogen production

S Chen, C Pei, J Gong - Energy & Environmental Science, 2019 - pubs.rsc.org
Hydrogen demand is vigorously increasing due to its significant role in energy sources and
chemical reactants. Catalytic steam reforming for hydrogen production is considered as one …

Inducing efficient proton transfer through Fe/Ni@ COF to promote amine-based solvent regeneration for achieving low-cost capture of CO2 from industrial flue gas

Y Li, Z Chen, G Zhan, B Yuan, L Wang, J Li - Separation and Purification …, 2022 - Elsevier
Catalytic amine-based solvent regeneration with solid acid is a feasible option for reducing
energy consumption of CO 2 capture, but facing crucial challenges on designing material …

Room temperature bilayer water structures on a rutile TiO 2 (110) surface: hydrophobic or hydrophilic?

M Qu, G Huang, X Liu, X Nie, C Qi, H Wang, J Hu… - Chemical …, 2022 - pubs.rsc.org
The lack of understanding of the molecular-scale water adsorbed on TiO2 surfaces under
ambient conditions has become a major obstacle for solving the long-time scientific and …