Co Single Atoms and CoO  x  Nanoclusters Anchored on Ce 0.75 Zr 0.25 O 2 Synergistically Boosts the NO Reduction by CO

Shaomian Liu; Yongjun Ji; Bing Liu; Wenqing Xu; Wenxing Chen; Jian Yu; Ziyi Zhong; Guangwen Xu; Tingyu Zhu; Fabing Su

doi:10.1002/adfm.202303297

Co Single Atoms and CoO _x Nanoclusters Anchored on Ce _0.75 Zr _0.25 O ₂ Synergistically Boosts the NO Reduction by CO

Shaomian Liu, Yongjun Ji^*, Bing Liu^*, Wenqing Xu^*, Wenxing Chen^*, Jian Yu, Ziyi Zhong, Guangwen Xu, Tingyu Zhu^*, Fabing Su

^*Corresponding author for this work

Chemical Engineering

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

Achieving high NO conversion and N2 selectivity in selective catalytic reduction of NO by CO (CO-SCR) in a wide operating temperature window, particularly in the presence of high O2 concentration, remains a big challenge. Herein, guided by density functional theory (DFT) calculations, a catalyst is rationally developed with dual active centers consisting of both Co single-atoms (SAs) and CoOx nanoclusters (NCs) co-anchored on Ce0.75Zr0.25O2 support (CZO), which show above 99.7% NO conversion and 100% N2 selectivity at 250–400 °C under 5 vol% O2. DFT calculation and experimental results confirm a strong interaction among Co SAs, CoOx NCs, and CZO support. Co SAs enhance CO adsorption and accompany the oxygen vacancies (OVs) formation in CZO, while the CoOx NCs promote both NO conversion to nitrate intermediate and the breakage of the NO bond at OVs, thus synergistically boosting the N2 formation.

Original language	English
Journal	Advanced Functional Materials
DOIs	https://doi.org/10.1002/adfm.202303297
State	Published - 17 May 2023

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@article{b7c30971b7fc4bf7a31bd27472d14124,

title = "Co Single Atoms and CoO x Nanoclusters Anchored on Ce 0.75 Zr 0.25 O 2 Synergistically Boosts the NO Reduction by CO",

abstract = "Achieving high NO conversion and N2 selectivity in selective catalytic reduction of NO by CO (CO-SCR) in a wide operating temperature window, particularly in the presence of high O2 concentration, remains a big challenge. Herein, guided by density functional theory (DFT) calculations, a catalyst is rationally developed with dual active centers consisting of both Co single-atoms (SAs) and CoOx nanoclusters (NCs) co-anchored on Ce0.75Zr0.25O2 support (CZO), which show above 99.7% NO conversion and 100% N2 selectivity at 250–400 °C under 5 vol% O2. DFT calculation and experimental results confirm a strong interaction among Co SAs, CoOx NCs, and CZO support. Co SAs enhance CO adsorption and accompany the oxygen vacancies (OVs) formation in CZO, while the CoOx NCs promote both NO conversion to nitrate intermediate and the breakage of the NO bond at OVs, thus synergistically boosting the N2 formation.",

author = "Shaomian Liu and Yongjun Ji and Bing Liu and Wenqing Xu and Wenxing Chen and Jian Yu and Ziyi Zhong and Guangwen Xu and Tingyu Zhu and Fabing Su",

year = "2023",

month = may,

day = "17",

doi = "10.1002/adfm.202303297",

language = "英语",

journal = "Advanced Functional Materials",

issn = "1616-301X",

publisher = "Wiley-VCH Verlag",

}

TY - JOUR

T1 - Co Single Atoms and CoO x Nanoclusters Anchored on Ce 0.75 Zr 0.25 O 2 Synergistically Boosts the NO Reduction by CO

AU - Liu, Shaomian

AU - Ji, Yongjun

AU - Liu, Bing

AU - Xu, Wenqing

AU - Chen, Wenxing

AU - Yu, Jian

AU - Zhong, Ziyi

AU - Xu, Guangwen

AU - Zhu, Tingyu

AU - Su, Fabing

PY - 2023/5/17

Y1 - 2023/5/17

N2 - Achieving high NO conversion and N2 selectivity in selective catalytic reduction of NO by CO (CO-SCR) in a wide operating temperature window, particularly in the presence of high O2 concentration, remains a big challenge. Herein, guided by density functional theory (DFT) calculations, a catalyst is rationally developed with dual active centers consisting of both Co single-atoms (SAs) and CoOx nanoclusters (NCs) co-anchored on Ce0.75Zr0.25O2 support (CZO), which show above 99.7% NO conversion and 100% N2 selectivity at 250–400 °C under 5 vol% O2. DFT calculation and experimental results confirm a strong interaction among Co SAs, CoOx NCs, and CZO support. Co SAs enhance CO adsorption and accompany the oxygen vacancies (OVs) formation in CZO, while the CoOx NCs promote both NO conversion to nitrate intermediate and the breakage of the NO bond at OVs, thus synergistically boosting the N2 formation.

AB - Achieving high NO conversion and N2 selectivity in selective catalytic reduction of NO by CO (CO-SCR) in a wide operating temperature window, particularly in the presence of high O2 concentration, remains a big challenge. Herein, guided by density functional theory (DFT) calculations, a catalyst is rationally developed with dual active centers consisting of both Co single-atoms (SAs) and CoOx nanoclusters (NCs) co-anchored on Ce0.75Zr0.25O2 support (CZO), which show above 99.7% NO conversion and 100% N2 selectivity at 250–400 °C under 5 vol% O2. DFT calculation and experimental results confirm a strong interaction among Co SAs, CoOx NCs, and CZO support. Co SAs enhance CO adsorption and accompany the oxygen vacancies (OVs) formation in CZO, while the CoOx NCs promote both NO conversion to nitrate intermediate and the breakage of the NO bond at OVs, thus synergistically boosting the N2 formation.

U2 - 10.1002/adfm.202303297

DO - 10.1002/adfm.202303297

M3 - 文章

SN - 1616-301X

JO - Advanced Functional Materials

JF - Advanced Functional Materials

ER -

Co Single Atoms and CoO x Nanoclusters Anchored on Ce 0.75 Zr 0.25 O 2 Synergistically Boosts the NO Reduction by CO

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Co Single Atoms and CoO _x Nanoclusters Anchored on Ce _0.75 Zr _0.25 O ₂ Synergistically Boosts the NO Reduction by CO