DFT Study of the Catalytic Mechanisms of NO Heterogeneous Reduction: The Effect of the Gasification Reaction-Reference-Cited by-同舟云学术

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DFT Study of the Catalytic Mechanisms of NO Heterogeneous Reduction: The Effect of the Gasification Reaction

Published:2023-08-27 Issue: Volume: Page:1-19
ISSN:0010-2202
Container-title:Combustion Science and Technology
language:en
Short-container-title:Combustion Science and Technology

Author:

Zhang Hai¹,Zhao Jingyi¹,Wang Xin¹,Wang Kai¹,Fan Weidong¹

Affiliation:

1. Institute of Thermal Energy Engineering, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai, China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shanghai

Publisher

Informa UK Limited

Subject

General Physics and Astronomy,Energy Engineering and Power Technology,Fuel Technology,General Chemical Engineering,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/00102202.2023.2251667

Reference46 articles.

1. Investigation into Ca/Na compounds catalyzed coal pyrolysis and char gasification with steam

2. Ab Initio Molecular Orbital Study of the Unified Mechanism and Pathways for Gas−Carbon Reactions

3. Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene

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