First-Principles Study of Pt-Based Bifunctional Oxygen Evolution & Reduction Electrocatalyst: Interplay of Strain and Ligand Effects

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...

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Bibliographic Details
Main Authors: Seung-hoon Kim, Yoonmook Kang, Hyung Chul Ham
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Energies
Subjects:
electrocatalyst
oxygen evolution reaction
oxygen reduction reaction
bifunctional
density functional theory
Online Access:https://www.mdpi.com/1996-1073/14/22/7814

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