Adsorption mechanism of NH3, NO, and O2 molecules over the FexOy/AC catalyst surface: a DFT-D3 study-Reference-Cited by-同舟云学术

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Adsorption mechanism of NH3, NO, and O2 molecules over the FexOy/AC catalyst surface: a DFT-D3 study

Published:2021 Issue:6 Volume:45 Page:3169-3180
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Xie Chaoyue¹²³⁴,Sun Yunlan¹²³⁴^ORCID,Zhu Baozhong¹²³⁴,Song Weiyi¹²³⁴,Xu Minggao⁵⁶⁷⁸^ORCID

Affiliation:

1. School of Petroleum Engineering

2. Changzhou University

3. Changzhou

4. China

5. Center for Advanced Combustion and Energy

6. University of Science and Technology of China

7. Hefei

8. P. R. China

Abstract

The surface model of the Fe_xO_y/AC catalyst was constructed and the adsorption mechanism of gas molecules on its surface was revealed.

Funder

National Natural Science Foundation of China

Six Talent Peaks Project in Jiangsu Province

Graduate Research and Innovation Projects of Jiangsu Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ05628F

Reference71 articles.

1. Study of a Fe–zeolite-based system as NH3-SCR catalyst for diesel exhaust aftertreatment

2. Novel MnWOx catalyst with remarkable performance for low temperature NH3-SCR of NOx

3. A comparative study of the NH3-SCR reactions over a Cu-zeolite and a Fe-zeolite catalyst

4. Role of WO3 in mixed V2O5-WO3/TiO2catalysts for selective catalytic reduction of nitric oxide with ammonia

5. Characterization and Reactivity of V2O5–MoO3/TiO2 De-NOx SCR Catalysts

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1. A DFT+U Study on Surface Properties and Methane Adsorption Performance of Au1/ZrO2 Single-Atom Catalysts;Russian Journal of Physical Chemistry A;2024-04

2. Overview of mechanisms of Fe-based catalysts for the selective catalytic reduction of NOx with NH3 at low temperature;Environmental Science and Pollution Research;2024-01-31

3. Promoting mechanism of Mn doping on the NH3-SCR reaction over the Fe/γ-Al2O3 catalyst surface;Molecular Catalysis;2024-01

4. Synthesis of core-shell magnetic mesoporous silica nanoparticles to disperse amine functionalities for post-combustion carbon dioxide capture;Journal of the Taiwan Institute of Chemical Engineers;2023-12

5. Sulfur and Water Resistance of Carbon-Based Catalysts for Low-Temperature Selective Catalytic Reduction of NOx: A Review;Catalysts;2023-11-13

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