Regulating Reversible Oxygen Electrocatalysis by Built-in Electric Field of Heterojunction Electrocatalyst with Modified d-Band

Small. 2023 Apr;19(15):e2207474. doi: 10.1002/smll.202207474. Epub 2023 Jan 5.

Abstract

Developing bifunctional catalysts for oxygen electrochemical reactions is essential for high-performance electrochemical energy devices. Here, a Mott-Schottky heterojunction composed of porous cobalt-nitrogen-carbon (Co-N-C) polyhedra containing abundant metal-phosphides for reversible oxygen electrocatalysis is reported. As a demonstration, this catalyst shows excellent activity in the oxygen electrocatalysis and thus delivers outstanding performance in rechargeable zinc-air batteries (ZABs). The built-in electric field in the Mott-Schottky heterojunction can promote electron transfer in oxygen electrocatalysis. More importantly, an appropriate d-band center of the heterojunction catalyst also endows oxygen intermediates with a balanced adsorption/desorption capability, thus enhancing oxygen electrocatalysis and consequently improving the performance of ZABs. The work demonstrates an important design principle for preparing efficient multifunctional catalysts in energy conversion technologies.

Keywords: Mott-Schottky heterojunction; d-band center; electric field; electrocatalysis; zinc-air batteries.