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제125회 대한화학회 학술발표회 및 총회 Se rich 1T' phase MoSe2 Nanosheets for Enhanced Catalytic Hydrogen Evolution Reaction

2020년 2월 6일 14시 49분 14초
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Material Chemistry
저자 및
Ik Seon Kwon, In Hye Kwak1, Jisun Yoo, Jaemin Seo2, Jong Hyun Lee, Doyeon Kim, Jeunghee Park2,*
Advanced Materials Chemistry, Korea University, Korea
1Micro Device Engineering / Microdevices, Korea University, Korea
2Department of Materials Chemistry, Korea University, Korea
Two-dimensional MoSe2 has emerged as a promising electrocatalyst for the hydrogen evolution reaction (HER), although its catalytic activity needs to be further improved. Herein, we report novel Se-rich MoSe2 nanosheets synthesized using a hydrothermal reaction, displaying much enhanced HER performance at the Se/Mo ratio of 2.3. The transition from the 2H to 1T' phase occurred as Se/Mo exceeded 2. Structural analysis revealed the presence of Se adatoms as well as the formation of Se-Se bonding. Based on first-principles calculations, we propose two equally stable Se-rich structures. In the first one, excess Se atoms bridge two MoSe2 layers via the interlayer Se-Se bonds. In the second one, the Se atoms substitute for the Mo atoms, and extra Se atoms are added closest to the Mo-substituted Se. Calculation of Gibbs free energy along the reaction path indicates that the Se adatoms of the second model are the most active sites for HER.