Paper
Modelling hydrogen peroxide adsorption on cerium dioxide: the effect of surface strain
Cerium oxide nanoparticles possess inherent strain, which facilitates the stabilization of various reactive oxygen species, such as hydrogen peroxide and its dissociation products, on their surfaces, thereby altering their surface activity.
Paper
Computational insights into hydrogen adsorption energies on medium-entropy oxides
A DFT and machine learning study of hydrogen adsorption on 2000 random surface configurations of a prototypical medium-entropy oxide reveals important local environment descriptors.
Effects of Pd ensemble size in dilute and single atom alloy PdAu catalysts for one-pot selective hydrogenation and reductive amination
The Pd ensemble size in dilute and single atom alloy PdAu catalysts controls competitive adsorption between reactants and consequently directs selectivity in the one-pot hydrogenation and reductive amination between nitroarenes and aldehydes.
Paper
WO3/Nb2CTx MXene 2D–2D heterojunction as a high performance photoanode for photoelectrochemical water splitting
Photoelectrochemical (PEC) water splitting plays a key role in the production of green hydrogen, which is a sustainable energy source and non-exploitative to the environment.
About this collection
On behalf of our guest editors Dr Kalliopi Kousi (University of Surrey), Dr Eleonora Cali (Politechnical di Torino), Dr Manuel Ramos Murillo (Universidad Autónoma of Ciudad Juárez), Dr Raúl Pérez Hernández (Instituto Nacional de Investigaciones Nucleares) & Dr Quan Li - Honorary Guest Editor (The Chinese University of Hong Kong), we invite submissions of original research articles & review articles that delve into fundamental principles and practical applications, including but not limited to:
- Chemical synthesis and evaluation of catalytic materials to support clean liquid fuels production, environmental catalysis and remediation
- Bulk and nanoscale catalytic materials for hydrogen production in fuel cells by electrocatalytic processes, conversion of biomass, energy storage and organic electrosynthesis (Photocatalytic materials, Electro-catalytic materials and Single-Atom Catalysts)
- Controlled synthesis and scaling of MOFs, metal nanoparticles, metallocenes, ionic liquids, transition metal carbides, phosphides, nitrides and sulfides catalytic materials.
- In situ studies of synthesis and/or activation of catalytic materials during pretreatment.
- Application of advanced characterization techniques including in situ/operando methodologies by atomic force, scanning tunneling electron microscopy (SEM, STEM, TEM), X-ray photoelectron spectroscopy, Synchrotron Radiation, Raman, and Mössbauer spectroscopies.
- Computational modelling and AI/machine-learning approaches for catalytic materials, reactions and mechanisms.