Issue 24, 2018

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

Abstract

Developing highly active non-noble catalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is essential for overall water splitting. In this work, by means of first-principles computations, we screened a series of transition metal atom anchored C2N monolayers (TMx@C2N, TM = Ti, Mn, Fe, Co, Ni, Cu, Mo, Ru, Rh, Pd, Ag, Ir, Pt, or Au) as electrocatalysts for both HER and OER. Almost all TMx@C2N composites show metallic properties, indicating outstanding charge transfer for efficient electrochemical procedures. Ti1@C2N, Mn1@C2N, Co2@C2N, Ni2@C2N, Cu2@C2N, Mo1@C2N, Ru2@C2N and Ir1@C2N exhibit high catalytic activity toward the HER. Among them, Ti1@C2N would be the best HER catalyst since both N and Ti atoms are active sites. Unfortunately, Ti1@C2N exhibits no OER activity. Instead, only Mn1@C2N could perform as a bifunctional electrocatalyst with N and Mn atoms as active sites for the HER and OER, respectively. This work would open a new door for the development of non-noble metal bifunctional electrocatalysts for overall water splitting and also shed light on C2N-supported nanomaterials as advanced catalysts.

Graphical abstract: Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

Supplementary files

Article information

Article type
Paper
Submitted
11 Apr 2018
Accepted
22 May 2018
First published
24 May 2018

J. Mater. Chem. A, 2018,6, 11446-11452

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

X. Zhang, A. Chen, Z. Zhang, M. Jiao and Z. Zhou, J. Mater. Chem. A, 2018, 6, 11446 DOI: 10.1039/C8TA03302A

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