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Interfacial Electron Transfer Strategy to Improve the Hydrogen Evolution Catalysis of CrP Heterostructure

Sarkar, B and Parui, A and Das, D and Singh, AK and Nanda, KK (2022) Interfacial Electron Transfer Strategy to Improve the Hydrogen Evolution Catalysis of CrP Heterostructure. In: Small .

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Official URL: https://doi.org/10.1002/smll.202106139


Though several Pt-free hydrogen evolution reaction (HER) catalysts have been reported, their employment for industry is challenging. Here, a facile pyrolysis method to obtain phase-pure CrP nanoparticles supported on N, P dual-doped carbon (CrP/NPC) is reported to be tuned toward industrial HER. Interestingly, CrP/NPC exhibits excellent HER activity that requires an overpotential of 34 mV to attain a current density of 10 mA cm�2, which is only 1 mV positive to commercial Pt/C and a potential of 55 mV to achieve a current density of 200 mA cm�2 which is better than Pt/C. In addition, the long-term durability of CrP/NPC is far superior to Pt/C due to the strong interaction between CrP and C support, restricting any agglomeration or leaching. Density functional theory (DFT) calculations suggest that electronic modulation at the interface (CrP/NPC) optimizes the hydrogen adsorption energy. The Cr�Cr bridge site with required density of states near the Fermi level is found to be the active site. Overall, this report provides a practical scheme to synthesize rarely investigated CrP based materials along with a computational mechanistic guideline for electrocatalysis that can be utilized to explore other phosphides for various applications. © 2022 Wiley-VCH GmbH.

Item Type: Journal Article
Publication: Small
Publisher: John Wiley and Sons Inc
Additional Information: The copyright for this article belongs to John Wiley and Sons Inc
Keywords: Chromium compounds; Computation theory; Density functional theory; Electrocatalysis; Electrocatalysts; Gas adsorption; Phosphorus compounds; Platinum compounds, Co-doped; Electron transfer strategy; Hydrogen evolution reactions; Hydrogen-evolution; Interfacial electron transfer; N; P-codoped carbon; Pt-free hydrogen evolution reaction; ]+ catalyst, Carbon
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Date Deposited: 09 Mar 2022 10:25
Last Modified: 09 Mar 2022 10:25
URI: http://eprints.iisc.ac.in/id/eprint/71467

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