Manipulating the Local Coordination and Electronic Structures for Efficient Electrocatalytic Oxygen Evolution

Non-noble-metal-based nanomaterials can exhibit extraordinary electrocatalytic performance toward the oxygen evolution reaction (OER) by harnessing structural during catalysis and synergistic effect between elements. However, structure of active centers in bimetallic/multimetallic catalysts is under long-time debate community. Here, an efficient bimetallic Ni–Fe selenide-derived OER electrocatalyst reported structure–activity correlation studied. By combining experiments theoretical calculations, a conceptual advance provided, that local coordination distortion disordering sites inherited from pre-catalyst post-formed further reconstruction are responsible for boosting performance. The center identified on Ni showing moderate bindings with oxygenous intermediates rather than Fe strong poisonous adsorptions. These findings provide crucial understanding manipulating electronic structures rational design fabrication electrocatalysts.