Kwak, In Hye Abbas, Hafiz Ghulam Kwon, Ik Seon Park, Yun Chang Seo, Jaemin Cho, Min Kyung Ahn, Jae-Pyoung Seo, Hee Won Park, Jeunghee Kang, Hong Seok 2024-01-19T20:30:32Z 2024-01-19T20:30:32Z 2022-01-25 2019-04 2050-7488 https://pubs.kist.re.kr/handle/201004/120130 We synthesized cobaltocene (7-20%)-intercalated WS2 nanosheets using a solvothermal process. The intercalation of cobaltocene between the expanded 1T phase WS2 layers was confirmed by scanning transmission electron microscopy and electron energy loss spectroscopy. The intercalated complexes exhibited excellent performance for the catalytic hydrogen evolution reaction, with a Tafel slope of 40 mV dec(-1) and a current density of 10 mA cm(-2) at 0.17 V (vs. RHE). Spin-polarized density functional theory calculations showed that cobaltocene is intercalated with a fivefold symmetry parallel to the WS2 plane, driven by substantial charge transfer. Reaction pathway calculations suggest that the basal S atoms just above the Co atom are the active sites, and the activation barrier of the Heyrovsky reaction determines the catalytic activity. English ROYAL SOC CHEMISTRY Intercalation of cobaltocene into WS2 nanosheets for enhanced catalytic hydrogen evolution reaction Article 10.1039/c9ta01238a 1 JOURNAL OF MATERIALS CHEMISTRY A, v.7, no.14, pp.8101 - 8106 JOURNAL OF MATERIALS CHEMISTRY A 7 14 8101 8106 N scie scopus 000464414200011 2-s2.0-85063487795 Chemistry, Physical Energy & Fuels Materials Science, Multidisciplinary Chemistry Energy & Fuels Materials Science Article ACTIVE EDGE SITES COLLOIDAL SYNTHESIS GRAPHENE OXIDE THIN-FILMS MOS2 ELECTROCATALYST REDUCTION 1T-WS2