A longstanding research goal has been to understand the nature and role of copper–oxygen
intermediates within copper-containing enzymes and abiological catalysts. Synthetic …

On the basis of its generally accessible I/II redox couple and bioavailability, copper plays a
wide variety of roles in nature that mostly involve electron transfer (ET), O 2 binding …

Metal–organic frameworks (MOFs) are promising materials for electrocatalysis; however,
lack of electrical conductivity in the majority of existing MOFs limits their effective utilization in …

Atomically dispersed metal-NC sites are highly active and selective for nitrate reduction
reaction (NO 3 RR), while identifying their coordination and geometry structures remains …

Seventeen Cu complexes with formal oxidation states ranging from CuI to CuIII are
investigated through the use of multiedge X-ray absorption spectroscopy (XAS) and density …

Selective functionalization of unactivated C–H bonds, water oxidation, and dioxygen
reduction are extremely important reactions in the context of finding energy carriers and …

The preferential CO oxidation (CO-PROX) reaction is paramount for the purification of
reformate H2-rich streams, where CuO/CeO2 catalysts show promising opportunities. This …

Heme-copper oxidases (HCOs) are terminal enzymes on the mitochondrial or bacterial
respiratory electron transport chain, which utilize a unique heterobinuclear active site to …

The potential of operando X-ray techniques for following the structure, fate, and active site of
single-atom catalysts (SACs) is highlighted with emphasis on a synergetic approach of both …

This review provides a detailed account of density functional theory (DFT) and its application
to the calculation of molecular properties of inorganic compounds. After introducing some …