Improving the Electrochemical Activity of PdSe2 by Constructing P/T Structural Interfaces
Improving the Electrochemical Activity of PdSe2 by Constructing P/T Structural Interfaces
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DOI：
10.1016/j.apsusc.2022.153626
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Youyong Li
中科院分区：
文献类型：
--
作者：
Ruru Song;Lu Wang;Youyong Li
Introducing the P/T structural interfaces in PtSe 2 could successfully improve the electrochemical activity for hydrogen evolution reaction. • We introduce the phase interface to activate the basal plane of PdSe 2 and evaluate its electrocatalytic activity for hydrogen evolution reaction (HER). • Various P/T interface structures in PdSe 2 are constructed, which consist of triangle, pentagonal and hexagonal rings with the formation of Se-Se bonds. • The HER activity of these interface structures are successfully improved, and the optimal sites are mostly located on the surface Se atoms. • Our proposed strategy to enhance the electrochemical activity could also be applied for the other two-dimensional materials. Palladium diselenide (PdSe 2 ) is acknowledged as a potential electrocatalyst for hydrogen evolution reaction (HER), but its large-scale basal plane is catalytically inert, which enormously limits its application in electrochemical efficiency. Here we employ the phase interface in PdSe 2 to activate sites on the basal plane and improve the HER activity. Five P/T interface structures in PdSe 2 are constructed and optimized by density functional theory (DFT) calculations. The interface boundaries consist of triangle, pentagonal and hexagonal rings with the formation of more Se-Se bonds. The structural stability and HER activity for these interface structures are evaluated, and the optimal sites for HER are confirmed, which are mostly located on Se atoms. Our proposed strategy proves the formation of interface in PdSe 2 could successfully enhance its HER performance and could be also applicable to the other two-dimensional materials.
