Recent advances in the investigation of nanoeffects of Fischer-Tropsch catalysts
W Chen, T Lin, Y Dai, Y An, F Yu, L Zhong, S Li, Y Sun - Catalysis Today, 2018 - Elsevier
Fischer-Tropsch synthesis (FTS) is a structure-sensitive reaction for sustainable production
of green fuels and value-added chemicals via syngas derived from coal, biomass, shale gas …
of green fuels and value-added chemicals via syngas derived from coal, biomass, shale gas …
The application of DFT calculation in the study of iron-based catalyst for Fischer-Tropsch synthesis
F HE, T ZHANG, J LIANG, H LI, Y HE, X GAO… - Journal of Fuel …, 2023 - Elsevier
Fischer-Tropsch synthesis (FTS) is the key technology of indirect coal liquefaction. Iron-
based catalysts are commonly used. Due to the complexity of phase transition and the …
based catalysts are commonly used. Due to the complexity of phase transition and the …
Reversing the Selectivity of Alkanes and Alkenes in Iron-Based Fischer–Tropsch Synthesis: The Precise Control and Fundamental Role of Sodium Promotor
R Wang, Y Chen, X Shang, B Liang, X Zhang… - ACS …, 2024 - ACS Publications
Alkali metals have been extensively used as an industrial promotor with a significant impact
on the iron-based Fischer–Tropsch Synthesis (FTS), while their specific roles are still …
on the iron-based Fischer–Tropsch Synthesis (FTS), while their specific roles are still …
CO 2 formation mechanism in Fischer–Tropsch synthesis over iron-based catalysts: a combined experimental and theoretical study
B Liu, W Li, J Zheng, Q Lin, X Zhang, J Zhang… - Catalysis Science & …, 2018 - pubs.rsc.org
Fischer–Tropsch synthesis (FTS) is one of the most attractive routes to convert syngas (CO+
H2) into liquid fuels and high value-added chemicals. However, FTS over Fe-based …
H2) into liquid fuels and high value-added chemicals. However, FTS over Fe-based …
Revealing the Effect of Sodium on Iron-Based Catalysts for CO2 Hydrogenation: Insights from Calculation and Experiment
The promotional effects of sodium on Fe5C2 catalysts for CO2 hydrogenation were
systematically investigated by a synergistic combination of density functional theory (DFT) …
systematically investigated by a synergistic combination of density functional theory (DFT) …
DFT 计算在铁基催化剂费托合成反应研究中的应用
何富贵， 张曈， 梁洁， 李海鹏， 何育荣， 高新华… - 燃料化学学报(中 …, 2023 - rlhxxb.sxicc.ac.cn
费托合成是煤炭间接液化的关键技术. 铁基催化剂是常用的FTS 催化剂. 受反应过程中相变复杂
性和原位表征困难的限制, 密度泛函理论(DFT) 成为研究铁基催化剂表面物种吸附和反应的必要 …
性和原位表征困难的限制, 密度泛函理论(DFT) 成为研究铁基催化剂表面物种吸附和反应的必要 …
Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the χ-Fe5C2 Hägg Carbide
RJP Broos, B Zijlstra, IAW Filot… - The Journal of Physical …, 2018 - ACS Publications
The first step in the Fischer–Tropsch reaction is the production of C1 monomers by the
dissociation of the C–O bond. Although Fe is the active metal, it is well known that under …
dissociation of the C–O bond. Although Fe is the active metal, it is well known that under …
[PDF][PDF] 费托合成铁基催化剂的设计基础: 从理论走向实践
温晓东， 杨勇， 相宏伟， 焦海军， 李永旺 - 中国科学: 化学, 2017 - researchgate.net
摘要煤炭间接液化技术, 又称为费托合成过程(是煤气化后经合成气催化转化为液体产品(汽油,
柴油, 蜡及化工原料等)), 可从源头上消除煤中污染源. 合成油品中芳香烃类, 硫含量远低于欧V …
柴油, 蜡及化工原料等)), 可从源头上消除煤中污染源. 合成油品中芳香烃类, 硫含量远低于欧V …
[PDF][PDF] χ-Fe 5 C 2: Structure, synthesis, and tuning of catalytic properties
HB Zhao, D Ma - Acta Phys-Chim Sin, 2020 - whxb.pku.edu.cn
Iron carbides, especially Hägg carbide (χ-Fe5C2), have become a topic of significant
research interest due to their potential application in various fields over the past decades …
research interest due to their potential application in various fields over the past decades …
Theoretical insights into morphologies of alkali-promoted cobalt carbide catalysts for Fischer–Tropsch synthesis
C Zhang, S Li, L Zhong, Y Sun - The Journal of Physical Chemistry …, 2021 - ACS Publications
Co2C catalysts were found to be structure-sensitive during Fischer–Tropsch synthesis (FTS),
and reaction-induced Co2C nanoprisms exposing the (101) and (020) facets exhibited …
and reaction-induced Co2C nanoprisms exposing the (101) and (020) facets exhibited …