Determining surface structure and stability of ε-Fe2C, χ-Fe5C2, θ-Fe3C and Fe4C phases under carburization environment from combined DFT and atomistic thermodynamic studies-Reference-Cited by-同舟云学术

Determining surface structure and stability of ε-Fe2C, χ-Fe5C2, θ-Fe3C and Fe4C phases under carburization environment from combined DFT and atomistic thermodynamic studies

Published:2014-12-03 Issue:1 Volume:1 Page:44-60
ISSN:2055-074X
Container-title:Catalysis, Structure & Reactivity
language:en
Short-container-title:Catalysis, Structure & Reactivity

Author:

Zhao Shu¹,Liu Xing-Wu²,Huo Chun-Fang³,Li Yong-Wang⁴,Wang Jianguo¹,Jiao Haijun²

Affiliation:

1. State Key Laboratory of Coal ConversionInstitute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China

2. National Energy Center for Coal to Liquids Synfuels China Co., Ltd, Huairou District, Beijing 101400, China

3. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China

4. Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein Strasse 29a, 18059 Rostock, Germany

Publisher

Informa UK Limited

Subject

Mechanics of Materials,Materials Science (miscellaneous),Analytical Chemistry,Catalysis

Link

https://www.tandfonline.com/doi/pdf/10.1179/2055075814Y.0000000007

Reference76 articles.

1. Quantitative Analysis of Fischer-Tropsch Catalysts by X-Ray Diffraction. Determination of α-Iron, Magnetite, and Iron Carbides

2. Stability and Reactivity of ϵ−χ−θ Iron Carbide Catalyst Phases in Fischer−Tropsch Synthesis: Controlling μC

3. Nanoscale chemical imaging of a working catalyst by scanning transmission X-ray microscopy

4. The nature of the active phase in iron Fischer-Tropsch catalysts

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