Dynamic lattice reconstruction of transition metal sulfides: Insights into microstructural evolution and electrocatalytic performance enhancement

Transition metal sulfides (TMSs), characterized by their distinctive physicochemical properties, adjustable electronic structures, and compositional diversity, have gained significant attention as catalysts for electrochemical energy conversion. The transformation of electrocatalysts into highly active species during catalytic processes is a proven approach to significantly boost catalytic performance. Catalyst reconstruction via amorphization, ion doping, and phase transitions facilitates the formation of highly active species, markedly improving the electrocatalytic efficiency for OER and HER. Catalyst reconstruction modulates electronic structures, such as orbital occupancy, spin states, and band structures, to enhance intermediate adsorption and electron transport dynamics. This review highlights the latest progress in lattice reconstruction strategies for TMSs catalysts, emphasizing the interplay between orbitals, band structures, and lattice features with catalytic activity, and discusses the role of in situ techniques and theoretical modeling in developing next-generation high-performance electrocatalysts.