Se-Rich MoSe2 Nanosheets and Their Superior Electrocatalytic Performance for Hydrogen Evolution Reaction
- Authors
- Kwon, Ik Seon; Kwak, In Hye; Debela, Tekalign Terfa; Abbas, Hafiz Ghulam; Park, Yun Chang; Ahn, Jae-pyoung; Park, Jeunghee; Kang, Hong Seok
- Issue Date
- 26-5월-2020
- Publisher
- AMER CHEMICAL SOC
- Keywords
- MoSe2; phase transition; enriched Se; first-principles calculation; hydrogen evolution
- Citation
- ACS NANO, v.14, no.5, pp.6295 - 6304
- Indexed
- SCIE
SCOPUS
- Journal Title
- ACS NANO
- Volume
- 14
- Number
- 5
- Start Page
- 6295
- End Page
- 6304
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/55635
- DOI
- 10.1021/acsnano.0c02593
- ISSN
- 1936-0851
- Abstract
- 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 Serich 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 the 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.
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Collections - Graduate School > Department of Advanced Materials Chemistry > 1. Journal Articles
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