A DFT study towards dynamic structures of iron and iron carbide and their effects on the activity of the Fischer

A DFT study towards dynamic structures of iron and iron carbide and their effects on the activity of the Fischer–Tropsch process

Published:2023 Issue:48 Volume:13 Page:34262-34272
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yin Qiang¹²,Wang Hanqing³²,Zhao Jinping³,Li Chengjun³,Mao Yu⁴^ORCID

Affiliation:

1. Department of Forestry Engineering, School of Materials Science and Engineering, Central South University of Forestry & Technology, Changsha, China

2. Hunan Engineering Research Centre of Full Life-cycle Energy-efficient Buildings and Environmental Health, Central South University of Forestry and Technology, Changsha, Hunan, China

3. School of Civil Engineering, Central South University of Forestry & Technology, Changsha, China

4. School of Chemical Sciences, University of Auckland, Auckland 1010, New Zealand

Abstract

The Fe-based Fischer–Tropsch synthesis (FTS) catalyst shows a rich phase chemistry under pre-treatment and FTS conditions.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hunan Province

Changsha Science and Technology Project

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA06467K

Reference114 articles.

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2. The renaissance of iron-based Fischer–Tropsch synthesis: on the multifaceted catalyst deactivation behaviour

3. Some Understanding of Fischer–Tropsch Synthesis from Density Functional Theory Calculations

4. Insights into Hägg Iron-Carbide-Catalyzed Fischer–Tropsch Synthesis: Suppression of CH4 Formation and Enhancement of C–C Coupling on χ-Fe5C2 (510)

5. Effects of sodium and sulfur on catalytic performance of supported iron catalysts for the Fischer–Tropsch synthesis of lower olefins

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