Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.



Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

Author affiliations

Abstract

The development of single-atom catalysts (SACs) for chemical reactions of vital importance in the renewable energy sector has emerged as an urgent priority. In this perspective, transition metal-based SACs with monolayer phosphorous (phosphorene) as the supporting material are scrutinized for their electrocatalytic activity towards the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) from first-principle calculations. The detailed screening study has confirmed a breaking of the scaling relationship between the ORR/OER intermediates, resulting in various activity trends across the transition metal series. Groups 9 and 10 transition metal-based SACs are identified as potential catalyst candidates with the platinum single atom offering bifunctional activity for OER and HER with diminished overpotentials. Ambient condition stability analysis of SACs confirmed a different extent of interaction towards oxygen and water compared to pristine phosphorene, suggesting room for improving the stability of phosphorene via chemical functionalization.

Graphical abstract: Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

Back to tab navigation

Supplementary files

Article information


Submitted
13 Mar 2020
Accepted
21 Apr 2020
First published
21 Apr 2020

This article is Open Access

Nanoscale Adv., 2020, Advance Article
Article type
Paper

Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

A. S. Nair, R. Ahuja and B. Pathak, Nanoscale Adv., 2020, Advance Article , DOI: 10.1039/D0NA00209G

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements