Design of Basal Plane Edges in Metal-Doped Nanostripes-Structured MoSe 2 Atomic Layers to Enhance Hydrogen Evolution Reaction Activity

Dhanasekaran Vikraman, Sajjad Hussain, Kamran Akbar, K. Karuppasamy, Seung Hyun Chun, Jongwan Jung, Hyun Seok Kim

Research output: Contribution to journalArticlepeer-review

65 Scopus citations

Abstract

Hydrogen (H 2 ) is a clean and renewable energy source with a vital role to reduce global dependence on fossil fuels. H 2 evolution through electrochemical reduction of water is an essential eco-friendly strategy, and cost-effective electrocatalysts are critical for large scale manufacturing. This paper proposes metal (Cu, Fe, and Mn)-doped nanostripes-structured molybdenum selenide (MoSe 2 ) electrocatalysts for the H 2 evolution reaction (HER). For the first time, a solution deposition technique was successfully employed to architect the basal plane edges in nanostripes-structured MoSe 2 through metal doping for enhanced HER. Cu-doped MoSe 2 exhibited ∼86 mV overpotential with a small Tafel slope (∼44 mV/dec) which is greater among the available MoSe 2 -based catalysts. An outstanding robustness was observed in an acidic medium for constant HER over 20 h. First-principles density function theory (DFT) approximations showed that charge transfer between the doped metal and MoSe 2 increased the density of states near the Fermi level, enriching HER. DFT calculations also revealed that Cu-doped MoSe 2 have low Gibbs free energy (0.13 eV) for H 2 adsorption. Theoretical approximations, good stability, and nanostripe structures confirmed metal-doped MoSe 2 as superior electrocatalysts for large scale H 2 production.

Original languageEnglish
Pages (from-to)458-469
Number of pages12
JournalACS Sustainable Chemistry and Engineering
Volume7
Issue number1
DOIs
StatePublished - 7 Jan 2019

Keywords

  • DFT
  • HER
  • Metal doping
  • MoSe
  • Raman
  • TEM

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