Abstract

Modulating d‑band center is an effective approach to develop efficient electrocatalyst towards robust oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). In this work, MoXS (X = Co, Ni, Fe) heteronanosheets were synthesized and vertically stacked on carbon nanosheet (MoXS/CNS). Benefiting from the modulation of d-band center through interface engineering between MoS2/XySz (X = Co, Ni, Fe), MoXS/CNS exhibited notable catalytic activities superior to MoS2/CNS towards OER and HER. Specifically, MoCoS/CNS displayed the elevated d-band center towards competitive lower electron-transfer barrier, which resulted in remarkable catalytic activity and long-term stability toward overall water splitting compared with MoNiS/CNS and MoFeS/CNS. Such strategy of manipulating d-band center by interface engineering may provide in-depth insight into transition-metal heterointerface for electrocatalytic applications.

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