Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction

Abstract Pt/α-MoC1-x catalysts exhibit exceptional activity in low-temperature water-gas shift reactions. However, quantitatively identifying and fine-tuning the active sites has remained a significant challenge. In this study, we reveal that fully exposed monolayer Pt nanoclusters on molybdenum car...

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Main Authors: Ruiying Li, Jingyuan Shang, Fei Wang, Qing Lu, Hao Yan, Yongxiao Tuo, Yibin Liu, Xiang Feng, Xiaobo Chen, De Chen, Chaohe Yang
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-55886-y
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author Ruiying Li
Jingyuan Shang
Fei Wang
Qing Lu
Hao Yan
Yongxiao Tuo
Yibin Liu
Xiang Feng
Xiaobo Chen
De Chen
Chaohe Yang
author_facet Ruiying Li
Jingyuan Shang
Fei Wang
Qing Lu
Hao Yan
Yongxiao Tuo
Yibin Liu
Xiang Feng
Xiaobo Chen
De Chen
Chaohe Yang
author_sort Ruiying Li
collection DOAJ
description Abstract Pt/α-MoC1-x catalysts exhibit exceptional activity in low-temperature water-gas shift reactions. However, quantitatively identifying and fine-tuning the active sites has remained a significant challenge. In this study, we reveal that fully exposed monolayer Pt nanoclusters on molybdenum carbides demonstrate mass activity that exceeds that of bulk molybdenum carbide catalysts by one to two orders of magnitude at 100–200 °C for low-temperature water-gas shift reactions. This advancement is driven by the precise quantification and elucidation of active sites along the Pt-molybdenum carbide interfacial perimeter. By combining sacrificial CO adsorption per Pt atom, Density Functional Theory calculations, and CO chemisorption measurements, we establish a direct correlation between the monolayer Pt nanocluster size and the number of interfacial perimeters on Pt/α-MoC1-x catalysts. In this work, these findings provide key insights into the active site configuration of Pt/α-MoC1-x catalysts and open pathways for innovative catalyst design, with the interfacial perimeter identified as a crucial factor in enhancing catalytic performance.
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publishDate 2025-01-01
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series Nature Communications
spelling doaj-art-d8c576c40a2d4548955be567eefbfc4c2025-02-02T12:31:45ZengNature PortfolioNature Communications2041-17232025-01-0116111210.1038/s41467-025-55886-yQuantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reactionRuiying Li0Jingyuan Shang1Fei Wang2Qing Lu3Hao Yan4Yongxiao Tuo5Yibin Liu6Xiang Feng7Xiaobo Chen8De Chen9Chaohe Yang10State Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumState Key Laboratory of Heavy Oil Processing, China University of PetroleumDepartment of Chemical Engineering, Norwegian University of Science and TechnologyState Key Laboratory of Heavy Oil Processing, China University of PetroleumAbstract Pt/α-MoC1-x catalysts exhibit exceptional activity in low-temperature water-gas shift reactions. However, quantitatively identifying and fine-tuning the active sites has remained a significant challenge. In this study, we reveal that fully exposed monolayer Pt nanoclusters on molybdenum carbides demonstrate mass activity that exceeds that of bulk molybdenum carbide catalysts by one to two orders of magnitude at 100–200 °C for low-temperature water-gas shift reactions. This advancement is driven by the precise quantification and elucidation of active sites along the Pt-molybdenum carbide interfacial perimeter. By combining sacrificial CO adsorption per Pt atom, Density Functional Theory calculations, and CO chemisorption measurements, we establish a direct correlation between the monolayer Pt nanocluster size and the number of interfacial perimeters on Pt/α-MoC1-x catalysts. In this work, these findings provide key insights into the active site configuration of Pt/α-MoC1-x catalysts and open pathways for innovative catalyst design, with the interfacial perimeter identified as a crucial factor in enhancing catalytic performance.https://doi.org/10.1038/s41467-025-55886-y
spellingShingle Ruiying Li
Jingyuan Shang
Fei Wang
Qing Lu
Hao Yan
Yongxiao Tuo
Yibin Liu
Xiang Feng
Xiaobo Chen
De Chen
Chaohe Yang
Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
Nature Communications
title Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
title_full Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
title_fullStr Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
title_full_unstemmed Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
title_short Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction
title_sort quantification and optimization of platinum molybdenum carbide interfacial sites to enhance low temperature water gas shift reaction
url https://doi.org/10.1038/s41467-025-55886-y
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