Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations

An ab initio micro-kinetic model (MKM) is constructed to understand the reactivity trend of single atom alloys (SAAs) of Cu and Au for non-oxidative dehydrogenation (NODH) of ethanol to produce...

Computational screening of single-atom alloys TM@Ru(0001) for enhanced electrochemical nitrogen reduction reaction

Single atom alloys (SAAs) based on TM doped Ru(0001) were investigated for their nitrogen reduction activity using density functional modelling. V@Ru(0001) was found to exhibit a low negative limiting potential and the TOF of the V@Ru(0001) catalyst was shown to be high.

Single-Atom Catalysts: A Review of Synthesis Strategies and Their Potential for Biofuel Production

Biofuels have been derived from various feedstocks by using thermochemical or biochemical procedures. In order to synthesise liquid and gas biofuel efficiently, single-atom catalysts (SACs) and single-atom alloys (SAAs) have been used in the reaction to promote it. SACs are made up of single metal atoms that are anchored or confined to a suitable support to keep them stable, while SAAs are materials generated by bi- and multi-metallic complexes, where one of these metals is atomically distributed in such a material. The structure of SACs and SAAs influences their catalytic performance. The challenge to practically using SACs in biofuel production is to design SACs and SAAs that are stable and able to operate efficiently during reaction. Hence, the present study reviews the system and configuration of SACs and SAAs, stabilisation strategies such as mutual metal support interaction and geometric coordination, and the synthesis strategies. This paper aims to provide useful and informative knowledge about the current synthesis strategies of SACs and SAAs for future development in the field of biofuel production.