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Rational inert-basal-plane activating design of ultrathin 1T′ phase MoS2 with MoO3 heterstructure for enhancing hydrogen evolution performances

Abstract

Activating both inert basal plane and edge sites of molybdenum-disulphide (MoS2) is significant step yet challenging in boosting their performance for hydrogen evolution reaction (HER). In this study, the density functional theory calculation results figure out that the incorporation of MoO3 fragments makes resultant O-Mo-S framework a slight out-of-plane distortion of the 1T′-MoS2 phase, bringing a 1T′-MoS2/MoO3 heterostructure, where gap states around the Fermi level allow hydrogen evolution over both its basal plane (Mo-site) and edges (S-sites). Under the guidance of density functional theory, conducted by an efficient one-step solvothermal route, ultrathin metallic-phase 1T′-MoS2/MoO3 heterojunction nanosheets with 3D hollow structures and a very small size (d= ~120 nm) were precisely designed and constructed. The electrochemical measurements display that such a material owns at a low overpotential 10 mA cm-2 (ƞ10, 109 mV) and Tafel slope (42 mV dec-1). In addition, the HMHSs also evolved excellent H2 production up to 22.108 mmol g-1 h-1 and good durability under photocatalyic process. To the best of our knowledge, the performance of catalyst is better than that of most previously reported Mo-based non-noble catalyst for HER. The excellent HER activity of the catalyst is highlighted by its unique synergic effect between 1T′-MoS2 and MoO3 with activated inert basal plane and fantastic hollow structure with large surface area and high content of edge sites.

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Publication details

The article was received on 30 Jun 2018, accepted on 05 Aug 2018 and first published on 08 Aug 2018


Article type: Paper
DOI: 10.1039/C8NR05270K
Citation: Nanoscale, 2018, Accepted Manuscript
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    Rational inert-basal-plane activating design of ultrathin 1T′ phase MoS2 with MoO3 heterstructure for enhancing hydrogen evolution performances

    X. Xue, J. Zhang, A. I. Saana, J. Sun, Q. Xu and S. Mu, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR05270K

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