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Lee, Geunsik
Computational Research on Electronic Structure and Transport in Condensed Materials
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Atomic Layers of Ruthenium Oxide Coupled with Mo2TiC2Tx MXene for Exceptionally High Catalytic Activity Toward Water Oxidation

Author(s)
Tiwari, Jitendra N.Umer, MuhammadBhaskaran, GokulUmer, SohaibLee, GeunsikKim, Min GyuLee, Han-KooKumar, KrishanVilian, A.T. EzhilHuh, Yun SukHan, Young-Kyu
Issued Date
2023-12
DOI
10.1016/j.apcatb.2023.123139
URI
https://scholarworks.unist.ac.kr/handle/201301/65067
Citation
APPLIED CATALYSIS B-ENVIRONMENTAL, v.339, pp.123139
Abstract
Progress in acidic water splitting has remained limited because of low oxygen evolution reaction (OER) activities, sluggish reaction kinetics, and severe catalyst degradation. Thus, a highly active and durable OER catalyst is required for the commercialization of acidic water electrolyzers. Here, we report t-phase ruthenium oxide atomic layers implanted on Mo2TiC2Tx MXene (RAL-M) as a model electrocatalyst for the OER in acidic media, which exhibits a remarkable mass activity (6.2 A mg−1), excellent turnover frequency (TOF; 2.4 s−1), and negligible loss of durability after 22 h in a two-electrode cell configuration. The mass activity and TOF of RAL-M are 150 times (RuO2-Premetek Co.) and 540 times (RuO2-Sigma-Aldrich) greater than the industrially adopted electrocatalysts at pH 0.48. Computational calculations show that the ruthenium active sites of RAL-M have a strong affinity to oxygen species (e.g., OH*, O*, and OOH*), which efficiently adapts water dissociation and favors both the adsorbate evolution and lattice oxygen mechanistic pathways to accelerate the OER.
Publisher
Elsevier BV
ISSN
0926-3373
Keyword (Author)
Mo2TiC2Tx MXeneRuthenium oxideDensity functional theoryMolecular dynamics (MD) simulationsOxygen evolution reactionWater splitting
Keyword
OXYGEN EVOLUTIONPHOTOELECTRON-SPECTROSCOPYHYDROGENEFFICIENTELECTRODESNANOTUBESCHEMISTRY

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