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 language | English |
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Pages (from-to) | 458-469 |
Number of pages | 12 |
Journal | ACS Sustainable Chemistry and Engineering |
Volume | 7 |
Issue number | 1 |
DOIs | |
State | Published - 7 Jan 2019 |
Bibliographical note
Publisher Copyright:© Copyright 2018 American Chemical Society.
Keywords
- DFT
- HER
- Metal doping
- MoSe
- Raman
- TEM