Modelling heterogeneous interfaces for solar water splitting
The generation of hydrogen from water and sunlight offers a promising approach for
producing scalable and sustainable carbon-free energy. The key of a successful solar-to …
producing scalable and sustainable carbon-free energy. The key of a successful solar-to …
Water splitting progress in tandem devices: moving photolysis beyond electrolysis
Water photolysis is a sustainable technology to convert natural solar energy and water into
chemical fuels and is thus considered a thorough solution to the forthcoming energy crises …
chemical fuels and is thus considered a thorough solution to the forthcoming energy crises …
[HTML][HTML] Perspective: How good is DFT for water?
Kohn-Sham density functional theory (DFT) has become established as an indispensable
tool for investigating aqueous systems of all kinds, including those important in chemistry …
tool for investigating aqueous systems of all kinds, including those important in chemistry …
Free energy of proton transfer at the water–TiO 2 interface from ab initio deep potential molecular dynamics
TiO2 is a widely used photocatalyst in science and technology and its interface with water is
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …
Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2
As the bottleneck in photocatalytic water splitting, the oxygen evolution reaction (OER) has
drawn huge attention, but its efficiency still falls short of expectations. A widely accepted …
drawn huge attention, but its efficiency still falls short of expectations. A widely accepted …
Construction of Tri‐Functional HOFs Material for Efficient Selective Adsorption and Photodegradation of Bisphenol A and Hydrogen Production
L Yang, J Yuan, G Wang, Q Cao… - Advanced Functional …, 2023 - Wiley Online Library
This study proposes the construction of porous nanomaterial (HOFs@ Fe3+) which anchors
non‐noble metal ions Fe3+ onto nanoscale rod‐like hydrogen‐bonded organic frameworks …
non‐noble metal ions Fe3+ onto nanoscale rod‐like hydrogen‐bonded organic frameworks …
Perspective on Theoretical Models for CO2 Electrochemical Reduction
The electrochemical reduction of CO2 (CO2RR) is a promising alternative to achieve carbon
neutrality and the sustainable development of human civilization. Rational design of …
neutrality and the sustainable development of human civilization. Rational design of …
Phosphorus containing materials for photocatalytic hydrogen evolution
Z Hu, Z Shen, CY Jimmy - Green Chemistry, 2017 - pubs.rsc.org
Hydrogen from photocatalytic water splitting is a sustainable and renewable source of clean
energy. The development of highly efficient photocatalysts is essential for the cost-effective …
energy. The development of highly efficient photocatalysts is essential for the cost-effective …
Construction of supramolecular S-scheme heterojunctions assisted by hydrogen bond subtle-tuning actuates highly efficient photocatalytic oxidation
B Wang, RQ Zhang, HY Chen, Z Li, EZ Liu… - Chemical Engineering …, 2023 - Elsevier
Controllable fine-tuning of heterojunction interfaces at the atomic level represents a
promising strategy for enhancing semiconductor photocatalytic performance. Herien, we …
promising strategy for enhancing semiconductor photocatalytic performance. Herien, we …
Proton-transfer mechanisms at the water–ZnO interface: The role of presolvation
V Quaranta, M Hellström, J Behler - The journal of physical …, 2017 - ACS Publications
The dissociation of water is an important step in many chemical processes at solid surfaces.
In particular, water often spontaneously dissociates near metal oxide surfaces, resulting in a …
In particular, water often spontaneously dissociates near metal oxide surfaces, resulting in a …