Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 48, Issue 98, Pages 38686-38698Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2023.06.092
Keywords
Vinegar residue; Heteroatom doping; Carbon quantum dots; Hydrogen evolution reaction; Density functional theory
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In this study, a catalyst composed of heteroatom-doped carbon quantum dots loaded on vertical graphene was designed using density functional theory for the hydrogen evolution reaction. The experimental results confirmed that the heteroatoms played a crucial role in the catalyst's activity, with the N-doped catalyst exhibiting the best performance.
Carbon-based materials are considered cost-effective electrocatalysts for hydrogen evolution reaction (HER). Here we design the heteroatom-doped carbon quantum dots (CQDs) loaded on vertical graphene (VG) as HER catalyst by density functional theory (DFT). And heteroatoms (B/N/P/S)-doped CQDs is synthesized with vinegar residue as the carbon source, which are integrated on VG as HER electrocatalysts. The results of electrochemical measurements are consistent with the DFT calculations. The heteroatom of CQDs in heteroatom-doped CQDs loaded on VG (CQDs-VG) is the leading active site in the HER process, which increases the catalytic potential of VG. The VG substrate increases the electron density of the heteroatom, which decreases the energy barrier and improves the catalytic activity. The N-doped catalyst shows the best potential in the HER process. This work contributes for the development of carbon based cost-effective electrocatalysts for water-splitting.(c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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