Meeting the Industrial Challenges of CO Photocatalytic Reduction: Moving From Molybdenum Disulfides to Oxysulfides Based Materials?

Reducing CO emissions is one of the greatest challenges of the century. Among the means employed to tackle CO emissions, the photocatalytic conversion of CO is an appealing way to valorize CO since it uses the sun energy, which is abundant. However, nowadays, the best photocatalytic systems still report too low efficiencies, and use expensive materials, so they cannot be readily industrialized for use at large scale.

Revisiting the Active Sites at the MoS/HO Interface via Grand-Canonical DFT: The Role of Water Dissociation.

MoS is a promising low-cost catalyst for the hydrogen evolution reaction (HER). However, the nature of the active sites remains a subject of debate. By taking the electrochemcal potential explicitly into account using grand-canonical density functional theory (DFT) in combination with the linearized Poisson-Boltzmann equation, we herein revisit the active sites of 2H-MoS.

Plasmonic photocatalysis applied to solar fuels.

The induction of chemical processes by plasmonic systems is a rapidly growing field with potentially many strategic applications. One of them is the transformation of solar energy into chemical fuel by the association of plasmonic metal nanoparticles (M NPs) and a semi-conductor (SC). When the localized surface plasmon resonance (LSPR) and the SC absorption do not match, one limitation of these systems is the efficiency of hot electron transfer from M NPs to SC through the Schottky barrier formed at the M NP/SC interfaces.