Kwon, Ik Seon Kwak, In Hye Kim, Ju Yeon Abbas, Hafiz Ghulam Debela, Tekalign Terfa Seo, Jaemin Cho, Min Kyung Ahn, Jae-Pyoung Park, Jeunghee Kang, Hong Seok 2024-01-19T19:31:58Z 2024-01-19T19:31:58Z 2022-01-25 2019-08 2040-3364 https://pubs.kist.re.kr/handle/201004/119702 Two-dimensional (2D) MoS2 nanostructures have been extensively investigated in recent years because of their fascinating electrocatalytic properties. Herein, we report 2D hybrid nanostructures consisting of 1T ' phase MoS2 and Fe-phthalocyanine (FePc) molecules that exhibit excellent catalytic activity toward both the hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR). X-ray absorption spectra revealed an increased Fe-N distance (2.04 angstrom) in the hybrid complex relative to the isolated FePc. Spin-polarized density functional theory calculations predicted that the Fe center moves toward the MoS2 layer and induces a non-planar structure with an increased Fe-N distance of 2.05 angstrom, which supports the experimental results. The experiments and calculations consistently show a significant charge transfer from FePc to stabilize the hybrid complex. The excellent HER catalytic performance of FePc-MoS2 is characterized by a low Tafel slope of 32 mV dec(-1) at a current density of 10 mA cm(-2) and an overpotential of 0.123 V. The ORR catalytic activity is superior to that of the commercial Pt/C catalyst in pH 13 electrolyte, with a more positive half-wave potential (0.89 vs. 0.84 V), a smaller Tafel slope (35 vs. 87 mV center dot dec(-1)), and a much better durability (9.3% vs. 40% degradation after 20 h). Such remarkable catalytic activity is ascribed to the HER-active 1T ' phase MoS2 and the ORR-active nonplanar Fe-N-4 site of FePc. English ROYAL SOC CHEMISTRY Two-dimensional MoS2/Fe-phthalocyanine hybrid nanostructures as excellent electrocatalysts for hydrogen evolution and oxygen reduction reactions Article 10.1039/c9nr04156g 1 NANOSCALE, v.11, no.30, pp.14266 - 14275 NANOSCALE 11 30 14266 14275 N scie scopus 000484234700022 2-s2.0-85070852373 Chemistry, Multidisciplinary Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Chemistry Science & Technology - Other Topics Materials Science Physics Article NITROGEN-DOPED GRAPHENE ACTIVE EDGE SITES IRON PHTHALOCYANINE MOS2 NANOSHEETS PHASE-TRANSITION CATALYSTS CARBON IDENTIFICATION STABILITY 1T-MOS2