First-principles simulation of oxygen evolution reaction (OER) catalytic performance of IrO2 bulk-like structures: Nanosphere, nanowire and nanotube

Dynamic coordination transformation of active sites in single-atom MoS2 catalysts for boosted oxygen evolution catalysis

“…46–48 It should be attributed to the fact that surface S 2− ions exhibit a weak hybridized effect with these species. In contrast, IrO 2 (110) undergoes strong chemical bonding 49,50 with these oxidative species, which is supported by the previous experimental results. 42,43 Therefore, it is necessary to regulate the MoS 2 local structure to make transition metals exposed to outside for adsorbing these oxidative species.…”

A Single-Phase FeCoNiMnMo High-Entropy Alloy Oxygen Evolution Anode Working in Alkaline Solution for over 1000 h

“…For example, NiFe layered double hydroxide (NiFe-LDH) has been intensively studied due to its excellent electrocatalytic activity. − The discovery of NiFe-LDH comes from the research of alkaline nickel-hydrogen batteries that have significant gassing issues because of the contamination of iron in the NiOOH positive electrode . In this regard, the OER performance of transition metal hydroxides highly depends on their compositions, defects, , structures, and dopants . Many attempts have been devoted to designing multicomponent hydroxides (MCHOs) to search for effective and durable catalysts. , Although many MCHOs with high electrocatalytic activities have been achieved, their lifetime is still constrained by the partial dissolution of specific elements or phase segregation during the OER service. , The second challenge of the widely used powdery MCHOs is the structure instability at a relatively high current density.…”

“…5−7 The discovery of NiFe-LDH comes from the research of alkaline nickel-hydrogen batteries that have significant gassing issues because of the contamination of iron in the NiOOH positive electrode. 8 In this regard, the OER performance of transition metal hydroxides highly depends on their compositions, 9 defects, 10,11 structures, 12 and dopants. 13 Many attempts have been devoted to designing multicomponent hydroxides (MCHOs) to search for effective and durable catalysts.…”

First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides

“…In the past few decades, common OER catalytic systems include various oxides (metal oxides, perovskite oxides, spinel oxides, hydroxides, and other oxides), nonoxides (metal sulfides, metal selenides, metal phosphides, metal nitrides, and metal carbides), and carbon-based catalysts (graphene, carbon nanotubes, and others). − Among them, one of the important OER catalysts is metal oxides (see Scheme ). Some precious metal oxides such as RuO 2 , IrO 2 , etc., exhibit a high OER catalytic activity, which is regarded as a benchmark of the OER catalyst development in alkaline and acidic electrolytes. − However, the stabilities of RuO 2 and IrO 2 are insufficient at high anodic potentials, resulting in a decrease in the OER catalytic performance, and their high costs and low reserves limit their wide application in industrial scalability as catalysts for OERs. Therefore, it is very important to develop and design low-cost, efficient, and stable OER catalysts.…”