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Regulating the Catalytic Dynamics Through a Crystal Structure Modulation of Bimetallic Catalyst
Author(s) -
Park Mihui,
Liang Chaoping,
Lee Tae Hyung,
Agyeman Daniel Adjei,
Yang Junghoon,
Lau Vincent Winghei,
Choi SangIl,
Jang Ho Won,
Cho Kyeongjae,
Kang YongMook
Publication year - 2020
Publication title -
advanced energy materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.08
H-Index - 220
eISSN - 1614-6840
pISSN - 1614-6832
DOI - 10.1002/aenm.201903225
Subject(s) - bimetallic strip , nucleation , catalysis , materials science , crystal (programming language) , agglomerate , chemical engineering , phase (matter) , nanoparticle , copper , chemical physics , nanotechnology , metal , chemistry , metallurgy , composite material , organic chemistry , computer science , programming language , engineering
The surface of solid catalysts is one of the most important factors where the interface with reaction products governs the reaction kinetics. Herein, the crystal phase of palladium–copper nanoparticles (PdCu NPs) is controlled to modulate their surface atomic arrangement, which will govern the growth dynamics of discharge products on their surfaces and thus the catalytic performances in non‐aqueous lithium–oxygen (Li‐O 2 ) batteries. First‐principles calculations and experimental validations reveal that homogeneous nucleation and distribution of discharge products are observed on the surface of body‐centered cubic PdCu NPs, promoting the oxygen reduction/evolution reaction (ORR/OER) activities in Li‐O 2 batteries. However, the agglomerates formed on the surface of its face‐centered cubic homologue deteriorates ORR/OER activities, which worsen the battery performances. For the first time, this work theoretically and experimentally demonstrates how the crystal phase modulation regulates the nucleation behaviors and growth dynamics of discharge products for ORR/OER.