Mechanisms for Modifying the Electronic and Spatial Distribution of the Single-Atom Ni/CeO2 Surface to Enhance CO-SCR Reactivity: Density Functional Theory Study DOI
Ming‐Tao Yang, Jiancheng Yang, Long Chen

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Фев. 21, 2025

Modulating the intrinsic activity of heterogeneous catalysts at atomic level is an effective strategy to improve low-temperature CO-SCR (selective catalytic reduction) reaction and N2 selectivity, but it remains challenging by experiment. In this paper, a single-atom-loaded surface generation developed construct single-atom density functional theory analysis, which will effectively reduce energy barriers in reaction. Specifically, NO reduction CO before after Ni adsorption was thoroughly investigated reactivity evaluated using CeO2 (1 1 1) as carrier, with application theory, electronic structure transition state theory. The loading increases barrier for N2O on 1.498 eV decreases 1.864 eV. This indicates that inhibits promotes N2. After thermodynamics kinetics pathway 1)-Ot-Ni via O atoms filling vacancies generate spontaneous unidirectional when no nonvolumetric work done constant temperature pressure. Theoretical calculations show modification isolated induces coupling redistribution, leads activation neighboring sites around atoms. study provides mechanism enhance selectivity theoretical guidance novel synergistic removal CO.

Язык: Английский

Unraveling the Synergistic Mechanism of Ir Species with Various Electron Densities over an Ir/ZSM-5 Catalyst Enables High-Efficiency NO Reduction by CO DOI

Huixian Liu,

Yixi Wang, Wenqing Xu

и другие.

Environmental Science & Technology, Год журнала: 2024, Номер 58(27), С. 12082 - 12090

Опубликована: Июнь 18, 2024

Selective catalytic reduction using CO as a reducing agent (CO-SCR) has exhibited its application potential in coal-fired, steel, and other industrial sectors. In comparison to NH

Язык: Английский

Процитировано

6
Promoted O2 resistant performance of CO selective catalytic reduction via carbon-coated CuCoAl mixed metal oxides DOI

Keke Pan,

Yonghua Yao,

Dan Cui

и другие.

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(2), С. 112498 - 112498

Опубликована: Март 13, 2024

Язык: Английский

Процитировано

5
Mn-Based Catalysts in the Selective Reduction of NOx with CO: Current Status, Existing Challenges, and Future Perspectives DOI Open Access

Dianxing Lian,

Mohaoyang Chen,

Huanli Wang

и другие.

Catalysts, Год журнала: 2024, Номер 14(7), С. 462 - 462

Опубликована: Июль 18, 2024

The technology for the selective catalytic reduction of NOx by CO (CO-SCR) has capability to simultaneously eliminate and from industrial flue gas automobile exhaust, thus making it a promising denitrification method. advancement cost-effective high-performing catalysts is crucial commercialization this technology. Mn-based demonstrate enhanced efficiency under conditions low temperature oxygen content when compared other transition metal-based catalysts, indicating significant potential practical applications. This review outlines diverse including bulk or supported MnOx composite oxide use as dopants. Subsequently, synthesis methods mechanism employed are presented. following section examines impact O2, H2O, SO2 on performance. Finally, implications reaction deliberated. work aims offer theoretical guidance rational design highly efficient in CO-SCR

Язык: Английский

Процитировано

4
Effect of modified Fe2O3/activated carbon catalysts for low-temperature CO selective catalytic reduction of NOx in underground diesel vehicle exhaust DOI
Wen Nie, Jie Lian, Yun Hua

и другие.

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(6), С. 114695 - 114695

Опубликована: Ноя. 5, 2024

Язык: Английский

Процитировано

4
Effects of structural differences between γ-MnO2 and γ-Mn2O3 catalysts on CO oxidation: different active oxygen species and carbonate species using operando TPR-DRIFTS-MS DOI
Jiacheng Xu,

Peng Weng,

Shuiliang Yao

и другие.

New Journal of Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

MnO facilitates the formation of v as (CO 3 2− ) or s (OCO), and decomposition at low temperatures is a decisive step in CO oxidation.

Язык: Английский

Процитировано

0
Mechanisms for Modifying the Electronic and Spatial Distribution of the Single-Atom Ni/CeO2 Surface to Enhance CO-SCR Reactivity: Density Functional Theory Study DOI
Ming‐Tao Yang, Jiancheng Yang, Long Chen

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Фев. 21, 2025

Modulating the intrinsic activity of heterogeneous catalysts at atomic level is an effective strategy to improve low-temperature CO-SCR (selective catalytic reduction) reaction and N2 selectivity, but it remains challenging by experiment. In this paper, a single-atom-loaded surface generation developed construct single-atom density functional theory analysis, which will effectively reduce energy barriers in reaction. Specifically, NO reduction CO before after Ni adsorption was thoroughly investigated reactivity evaluated using CeO2 (1 1 1) as carrier, with application theory, electronic structure transition state theory. The loading increases barrier for N2O on 1.498 eV decreases 1.864 eV. This indicates that inhibits promotes N2. After thermodynamics kinetics pathway 1)-Ot-Ni via O atoms filling vacancies generate spontaneous unidirectional when no nonvolumetric work done constant temperature pressure. Theoretical calculations show modification isolated induces coupling redistribution, leads activation neighboring sites around atoms. study provides mechanism enhance selectivity theoretical guidance novel synergistic removal CO.

Язык: Английский

Процитировано

0