Novel Z-Scheme ZnIn2S4-based photocatalysts for solar-driven environmental and energy applications: Progress and perspectives

Y Kumar, R Kumar, P Raizada, AAP Khan… - Journal of Materials …, 2021‏ - Elsevier
Benefiting from strong redox ability, improved charge transport, and enhanced charge
separation, Z-scheme heterostructures of ZnIn 2 S 4 based photocatalysts have received …

An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters

MP de Lara‐Castells - Small Structures, 2024‏ - Wiley Online Library
Current advances in synthesizing and characterizing atomically precise monodisperse metal
clusters (AMCs) at the subnanometer scale have opened up new possibilities in quantum …

Exploring the Catalytic Properties of Unsupported and TiO2-Supported Cu5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation

P López-Caballero, AW Hauser… - The Journal of …, 2019‏ - ACS Publications
In this work, we explore the decomposition of CO2 on unsupported and TiO2-supported Cu5
clusters via computational modeling, using both finite cluster and periodic slab structures of …

Increasing the optical response of TiO 2 and extending it into the visible region through surface activation with highly stable Cu 5 clusters

MP de Lara-Castells, AW Hauser… - Journal of Materials …, 2019‏ - pubs.rsc.org
The decoration of semiconductors with subnanometer-sized clusters of metal atoms can
have a strong impact on the optical properties of the support. The changes induced differ …

Exploring the properties of Ag 5–TiO 2 interfaces: stable surface polaron formation, UV-Vis optical response, and CO 2 photoactivation

P López-Caballero, JM Ramallo-López… - Journal of Materials …, 2020‏ - pubs.rsc.org
Using a combination of first-principles modelling, X-ray absorption spectroscopy, and diffuse
reflectance spectroscopy measurements, we explore the properties of Ag5-modified TiO2 …

Direct plasmonic excitation of the hybridized surface states in metal nanoparticles

JB Khurgin, A Petrov, M Eich, AV Uskov - ACS photonics, 2021‏ - ACS Publications
Plasmon-driven chemical reactions are a subject that is currently capturing the attention of
the research community and generates a fair amount of arguments about their origin. Taking …

Synthesis and Characterization of Enhanced Photocatalytic Activity with Li+-Do** Nanosized TiO2 Catalyst

F Zou, J Hu, W Miao, Y Shen, J Ding, X **g - ACS omega, 2020‏ - ACS Publications
The photocatalytic efficiency of TiO2 is reduced by rapid electron–hole recombination. An
effective approach to address this limitation is to have TiO2 doped with various metal ions or …

Ab initio design of light absorption through silver atomic cluster decoration of TiO 2

MP de Lara-Castells, C Cabrillo, DA Micha… - Physical Chemistry …, 2018‏ - pubs.rsc.org
A first-principles study of the stability and optical response of subnanometer silver clusters
Agn (n≤ 5) on a TiO2 (110) surface is presented. First, the adequacy of the vdW-corrected …

[HTML][HTML] First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies

MP de Lara-Castells - Journal of Colloid and Interface Science, 2022‏ - Elsevier
The very recent development of highly selective techniques making possible the synthesis
and experimental characterization of subnanometric (subnanometer-sized) metal clusters …

Ag5-induced stabilization of multiple surface polarons on perfect and reduced TiO2 rutile (110)

P López-Caballero, S Miret-Artés… - The Journal of …, 2020‏ - pubs.aip.org
The recent advent of cutting-edge experimental techniques allows for a precise synthesis of
subnanometer metal clusters composed of just a few atoms, opening new possibilities for …