Promotional Effect of H2 Pretreatment on the CO PROX Performance of Pt1/Co3O4: A First-Principles-Based Microkinetic Analysis
Source abstract
Abstract
Atomic Pt studded on cobalt oxide is a promising catalyst for CO preferential oxidation (PROX) dependent on its surface treatment. In this work, the CO PROX reaction mechanism on Co3O4 supported single Pt atom is investigated by a comprehensive first-principles based microkinetic analysis. It is found that as synthesized Pt1/Co3O4 interface is poisoned by CO in a wide low temperature window, leading to its low reactivity. The CO poisoning effect can be effectively mitigated by a H2 prereduction treatment, that exposes Co ∼ Co dimer sites for a noncompetitive Langmuir-Hinshelhood mechanism. In addition, surface H atoms assist O2 dissociation via “twisting” mechanism, avoiding the high barriers associated with direct O2 dissociation path. Microkinetic analysis reveals that the promotion of H-assisted pathway on H2 treated sample helps improve the activity and selectivity at low temperatures.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Catalytic Processes in Materials Science · Electrocatalysts for Energy Conversion · Catalysis and Oxidation Reactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, P.R. China
School of Environmental Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, P.R. China
State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, P.R. China
Funding
Central University Basic Research Fund of China · Huazhong University of Science and Technology · National Natural Science Foundation of China · Yunnan Province
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