First-Principles Study of Pt-Based Bifunctional Oxygen Evolution & Reduction Electrocatalyst: Interplay of Strain and Ligand Effects
We examined the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) of Pt-based Pt<sub>3</sub>M/Pt nanoalloy catalysts (where M represents a 3d transition metal) for bifunctional electrocatalysts using spin-polarized density functional theory calculations. First, the stab...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-11-01
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Series: | Energies |
Subjects: | |
Online Access: | https://www.mdpi.com/1996-1073/14/22/7814 |