Molecular views on Fischer–Tropsch synthesis

KT Rommens, M Saeys - Chemical Reviews, 2023 - ACS Publications
For nearly a century, the Fischer–Tropsch (FT) reaction has been subject of intense debate.
Various molecular views on the active sites and on the reaction mechanism have been …

Innovative progress of thermal ammonia synthesis under mild conditions

F Tian, J Li, W Chen, L Tang, M Wu - International Journal of Hydrogen …, 2024 - Elsevier
Ammonia is considered a clean energy carrier because of its high hydrogen content, ease of
liquefaction, and low carbon emissions. It is mostly manufactured by the Haber–Bosch …

The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts

R Tran, J Lan, M Shuaibi, BM Wood, S Goyal… - ACS …, 2023 - ACS Publications
The development of machine learning models for electrocatalysts requires a broad set of
training data to enable their use across a wide variety of materials. One class of materials …

Transforming carbon dioxide into jet fuel using an organic combustion-synthesized Fe-Mn-K catalyst

B Yao, T **ao, OA Makgae, X Jie… - Nature …, 2020 - nature.com
With mounting concerns over climate change, the utilisation or conversion of carbon dioxide
into sustainable, synthetic hydrocarbons fuels, most notably for transportation purposes …

Strongly correlated electrons in catalysis: focus on quantum exchange

C Biz, M Fianchini, J Gracia - ACS Catalysis, 2021 - ACS Publications
The understanding of quantum correlations within catalysts is an active and advanced
research field, absolutely necessary when attempting to describe all the relevant electronic …

In Situ Active Site for CO Activation in Fe-Catalyzed Fischer–Tropsch Synthesis from Machine Learning

QY Liu, C Shang, ZP Liu - Journal of the American Chemical …, 2021 - ACS Publications
In situ-formed iron carbides (FeC x) are the key components responsible for Fischer–
Tropsch synthesis (FTS, CO+ H2→ long-chain hydrocarbons) on Fe-based catalysts in …

Trends in the hydrogen evolution activity of metal carbide catalysts

R Michalsky, YJ Zhang, AA Peterson - ACS Catalysis, 2014 - ACS Publications
Metal carbide catalysts are alternative nonprecious electrode materials for electrochemical
energy conversion devices, such as for H2 fuel cells or electrolyzers. In this article, we report …

Iron particle size effects for direct production of lower olefins from synthesis gas

HM Torres Galvis, JH Bitter, T Davidian… - Journal of the …, 2012 - ACS Publications
The Fischer–Tropsch synthesis of lower olefins (FTO) is an alternative process for the
production of key chemical building blocks from non-petroleum-based sources such as …

CO activation pathways and the mechanism of Fischer–Tropsch synthesis

M Ojeda, R Nabar, AU Nilekar, A Ishikawa… - Journal of …, 2010 - Elsevier
Unresolved mechanistic details of monomer formation in Fischer–Tropsch synthesis (FTS)
and of its oxygen rejection routes are addressed here by combining kinetic and theoretical …

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

E de Smit, F Cinquini, AM Beale… - Journal of the …, 2010 - ACS Publications
The stability and reactivity of ϵ, χ, and θ iron carbide phases in Fischer− Tropsch synthesis
(FTS) catalysts as a function of relevant reaction conditions was investigated by a synergistic …