Data for: Insight into the Catalytic Mechanism of NO Oxidation and the Role of NO2 in Fast Selective Catalytic Reduction DeNOx at Low-Temperature over MnOx/TiO2 Catalyst

Published: 20 Jul 2019 | Version 1 | DOI: 10.17632/x4wz7fbvdg.1
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Description of this data

The calculation details of the proposed surface states including the optimized results, ZPE correction and TS script for calculating Gibbs free energy.

Experiment data files

This data is associated with the following publication:

Study on the NO2 production pathways and the role of NO2 in fast selective catalytic reduction DeNOx at low-temperature over MnOx/TiO2 catalyst

Published in: Chemical Engineering Journal

Latest version

  • Version 1

    2019-07-20

    Published: 2019-07-20

    DOI: 10.17632/x4wz7fbvdg.1

    Cite this dataset

    Liu, Zhi (2019), “Data for: Insight into the Catalytic Mechanism of NO Oxidation and the Role of NO2 in Fast Selective Catalytic Reduction DeNOx at Low-Temperature over MnOx/TiO2 Catalyst”, Mendeley Data, v1 http://dx.doi.org/10.17632/x4wz7fbvdg.1

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DFT Method Application

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The files associated with this dataset are licensed under a Attribution-NonCommercial 3.0 Unported licence.

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You are free to adapt, copy or redistribute the material, providing you attribute appropriately and do not use the material for commercial purposes.

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