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Facile Synthesis, Characterization and DFT Studies of Nanostructured Nickel- Molybdenum-Phosphorous Planar Electrodes as Active Electrocatalyst for Hydrogen Evolution Reaction

Abstract

In this paper, we combined experimental and theoretical route to develop a novel nanostructured nickel-molybdenum- phosphorous planar electrode as efficient catalyst toward hydrogen evolution reaction (HER). The HER activity of various Ni-based electrodes (Ni4Mo and Ni12P5) were not only experimentally evaluated but also testified with density function theory. Meanwhile, the electrocatalytic performance of as-prepared Ni-Mo-P at different temperatures (500,600,700,800℃) was also explored. The results indicate that the samples prepared at 700 ℃ exhibit the best catalytic activity. The as-fabricated Ni-Mo-P electrode possesses lower overpotential, higher current density and less Tafel slope than pristine modified Ni @ Ni-Mo in 1.0 M KOH and also shows long-term stability. An overpotential as low as 276 mV can achieve 100 mA cm-2 H2 evolving current density, being superior to most of previously reported samples. After phosphorization treatment, the as-formed Ni12P5 should play a crucial role in the activity enhancement. Density functional theory calculations reveal that Ni12P5 shows the smaller |ΔGH*| value than Ni4Mo, further confirming that Ni12P5 shows better catalytic performance than Ni4Mo.

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Publication details

The article was received on 03 Oct 2018, accepted on 09 Feb 2019 and first published on 11 Feb 2019


Article type: Paper
DOI: 10.1039/C8NR08039A
Citation: Nanoscale, 2019, Accepted Manuscript

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    Facile Synthesis, Characterization and DFT Studies of Nanostructured Nickel- Molybdenum-Phosphorous Planar Electrodes as Active Electrocatalyst for Hydrogen Evolution Reaction

    W. Zhang, J. Zheng, X. Gu, B. Tang, J. Li and X. Wang, Nanoscale, 2019, Accepted Manuscript , DOI: 10.1039/C8NR08039A

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