Elucidating the active sites and reaction mechanism for selective catalytic reduction of NOx on MnFe2O4 catalyst at molecular level

Zhen Wang; 蕭一川; Shi Peiyuan; Xiaorui Du; Ming-xin Xu; Ji Liu; Jihong Li; Yang Shiguan; Qiang Lu

doi:10.1039/d6cp01508e

January 1, 2026Physical Chemistry Chemical Physics

Elucidating the active sites and reaction mechanism for selective catalytic reduction of NOx on MnFe2O4 catalyst at molecular level

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Key Points

To elucidate the active sites and reaction mechanisms associated with the MnFe2O4 catalyst for NOx reduction.
Utilized density functional theory (DFT) to explore catalytic reactions.
Investigated the catalytic performance on the selective catalytic reduction (SCR) of NOx by NH3.
Identified key active sites within the MnFe2O4 catalyst.
Detailed the reaction pathways relevant to nitrogen oxides (NOx) reduction.

Implication

This randomized trial reveals insights into the catalytic mechanism for NOx reduction, indicating potential industrial applications.

Abstract

The spinel-type MnFe2O4 catalyst possesses excellent performance for selective catalytic reduction (SCR) of NOx by NH3, yet the catalytic mechanism remains to be established. Herein, density functional theory (DFT) calculations...

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/6a1bd21d5783ba022b6fd90f https://doi.org/10.1039/d6cp01508e

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Elucidating the active sites and reaction mechanism for selective catalytic reduction of NOx on MnFe2O4 catalyst at molecular level

Key Points

Implication

Abstract

Discussion

Cite This Study

Elucidating the active sites and reaction mechanism for selective catalytic reduction of NOx on MnFe2O4 catalyst at molecular level

Key Points

Implication

Abstract

Discussion

Cite This Study

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