Oxygen evolution reaction in nanoconfined carbon nanotubes

TitleOxygen evolution reaction in nanoconfined carbon nanotubes
Publication TypeJournal Article
Year of Publication2018
AuthorsY. Li, X. Lu, Y.F Li, X.Q Zhang
JournalPhysica E: Low-dimensional Systems and Nanostructures
Volume99
Pagination1-5
Date Published05/2018
KeywordsCarbon nanotube, CONFINEMENT, Overpotential, oxygen evolution reaction, water splitting
Abstract

Improving oxygen electrochemistry through nanoscopic confinement has recently been highlighted as a promising strategy. In-depth understanding the role of confinement is therefore required. In this study, we simulate the oxygen evolution reaction (OER) on iron oxide nanoclusters under confinement of (7,7) and (8,8) armchair carbon nanotubes (CNTs). The free energies of the four proton coupled electron transfer (PCET) steps and the OER overpotentials are calculated. The Fe4O6 nanocluster confined in (7,7) CNT is found to be the most active for OER among the systems considered in this work. This leads to an increase in catalytic efficiency of OER compared to the hematite (110) surface, which was reported recently as an active surface towards OER. The calculated results show that the OER overpotential depends strongly on the magnetic properties of the iron oxide nanocluster. These findings are helpful for experimental design of efficient catalyst for water splitting applications.

DOI10.1016/j.physe.2018.01.003
Division

MaSF

Department

EMI

PID

52805b73da067243ba85dbdcbbad155c

Alternate TitlePhysica E

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