In Situ Active Site for Fe-Catalyzed Fischer–Tropsch Synthesis: Recent Progress and Future Challenges

Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe7C3(001) Surfaces for Fischer–Tropsch Synthesis Using Density Functional Theory Calculations

(2021) Hee-Joon Chun et al.   Energies

Selective hydrogenation of CO2 and CO into olefins over Sodium- and Zinc-Promoted iron carbide catalysts

(2021) Zhiqiang Zhang et al.   JOURNAL OF CATALYSIS

A hydrophobic FeMn@Si catalyst increases olefins from syngas by suppressing C1 by-products

(2021) Yanfei Xu et al.   SCIENCE

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

(2021) Qian-Yu Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Development of direct conversion of syngas to unsaturated hydrocarbons based on Fischer-Tropsch route

(2021) Peng Zhai et al.   Chem

Interfacial Fe5C2-Cu catalysts toward low-pressure syngas conversion to long-chain alcohols

(2020) Yinwen Li et al.   Nature Communications

Highly Selective Olefin Production from CO 2 Hydrogenation on Iron Catalysts: A Subtle Synergy between Manganese and Sodium Additives

(2020) Yao Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of Support on Catalytic Performance of Photothermal Fischer-Tropsch Synthesis to Produce Lower Olefins over Fe5C2-based Catalysts

(2020) Yuan Li et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Interfacing with Carbonaceous Potassium Promoters Boosts Catalytic CO2 Hydrogenation of Iron

(2020) Yu Han et al.   ACS Catalysis

Theoretical exploration of intrinsic facet-dependent CH4 and C2 formation on Fe5C2 particle

(2020) Junqing Yin et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Stabilization of ε-iron carbide as high-temperature catalyst under realistic Fischer–Tropsch synthesis conditions

(2020) Shuai Lyu et al.   Nature Communications

Synthesis of Iron-Carbide Nanoparticles: Identification of the Active Phase and Mechanism of Fe-Based Fischer–Tropsch Synthesis

(2020) Huabo Zhao et al.   CCS Chemistry

LASP: Fast global potential energy surface exploration

(2019) Si-Da Huang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of ϴ-Fe3C

(2019) Robin J.P. Broos et al.   CATALYSIS TODAY

Iron Carbides: Control Synthesis and Catalytic Applications in CO x Hydrogenation and Electrochemical HER

(2019) Siwei Li et al.   ADVANCED MATERIALS

Elucidating Surface and Bulk Phase Transformation in Fischer–Tropsch Synthesis Catalysts and Their Influences on Catalytic Performance

(2019) Jian Wang et al.   ACS Catalysis

Insights into the Hydrogen Coverage Effect and the Mechanism of Fischer–Tropsch to Olefins Process on Fe5C2 (510)

(2019) Minhua Zhang et al.   ACS Catalysis

Quantum-Chemical DFT Study of Direct and H- and C-Assisted CO Dissociation on the χ-Fe5C2 Hägg Carbide

(2018) Robin J. P. Broos et al.   Journal of Physical Chemistry C

Hunting the Correlation between Fe5C2 Surfaces and Their Activities on CO: The Descriptor of Bond Valence

(2018) Yurong He et al.   Journal of Physical Chemistry C

Charge-Tuned CO Activation over a χ-Fe5C2 Fischer–Tropsch Catalyst

(2018) Bingxu Chen et al.   ACS Catalysis

Relationship between Iron Carbide Phases (ε-Fe2C, Fe7C3, and χ-Fe5C2) and Catalytic Performances of Fe/SiO2 Fischer–Tropsch Catalysts

(2018) Qiang Chang et al.   ACS Catalysis

CO Direct versus H-Assisted Dissociation on Hydrogen Coadsorbed χ-Fe5C2 Fischer–Tropsch Catalysts

(2018) Yurong He et al.   Journal of Physical Chemistry C

Atomic structure of boron resolved using machine learning and global sampling

(2018) Si-Da Huang et al.   Chemical Science

Role of Carbonaceous Supports and Potassium Promoter on Higher Alcohols Synthesis over Copper–Iron Catalysts

(2018) Ho Ting Luk et al.   ACS Catalysis

CO2 formation mechanism in Fischer–Tropsch synthesis over iron-based catalysts: a combined experimental and theoretical study

(2018) Bing Liu et al.   Catalysis Science & Technology

Atomically Defined Iron Carbide Surface for Fischer–Tropsch Synthesis Catalysis

(2018) Yijia Li et al.   ACS Catalysis

Photo-Driven Syngas Conversion to Lower Olefins over Oxygen-Decorated Fe5C2 Catalyst

(2018) Wa Gao et al.   Chem

Synthesis of stable and low-CO2 selective ε-iron carbide Fischer-Tropsch catalysts

(2018) Peng Wang et al.   Science Advances

Iron Carbides in Fischer–Tropsch Synthesis: Theoretical and Experimental Understanding in Epsilon-Iron Carbide Phase Assignment

(2017) Xing-Wu Liu et al.   Journal of Physical Chemistry C

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling

(2017) Xiao-Jie Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Material discovery by combining stochastic surface walking global optimization with a neural network

(2017) Si-Da Huang et al.   Chemical Science

Elucidating the Copper–Hägg Iron Carbide Synergistic Interactions for Selective CO Hydrogenation to Higher Alcohols

(2017) Yongwu Lu et al.   ACS Catalysis

Construction of Synergistic Fe5C2/Co Heterostructured Nanoparticles as an Enhanced Low Temperature Fischer–Tropsch Synthesis Catalyst

(2017) Ce Yang et al.   ACS Catalysis

Two-dimensional graphene-directed formation of cylindrical iron carbide nanocapsules for Fischer–Tropsch synthesis

(2017) Feng Jiang et al.   Catalysis Science & Technology

Highly Tunable Selectivity for Syngas-Derived Alkenes over Zinc and Sodium-Modulated Fe5C2Catalyst

(2016) Peng Zhai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mössbauer Spectroscopy of Iron Carbides: From Prediction to Experimental Confirmation

(2016) Xing-Wu Liu et al.   Scientific Reports

Methane, formaldehyde and methanol formation pathways from carbon monoxide and hydrogen on the (0 0 1) surface of the iron carbide χ-Fe 5 C 2

(2015) M. Olus Ozbek et al.   JOURNAL OF CATALYSIS

Metal organic framework-mediated synthesis of highly active and stable Fischer-Tropsch catalysts

(2015) Vera P. Santos et al.   Nature Communications

Elementary reactions of CO and H 2 on C-terminated χ-Fe 5 C 2 (0 0 1) surfaces

(2014) M. Olus Ozbek et al.   JOURNAL OF CATALYSIS

CO Activation Pathways of Fischer–Tropsch Synthesis on χ-Fe5C2 (510): Direct versus Hydrogen-Assisted CO Dissociation

(2014) Thanh Hai Pham et al.   Journal of Physical Chemistry C

Stochastic surface walking method for crystal structure and phase transition pathway prediction

(2014) Cheng Shang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ε-Iron carbide as a low-temperature Fischer–Tropsch synthesis catalyst

(2014) Ke Xu et al.   Nature Communications

Monolayer Iron Carbide Films on Au(111) as a Fischer–Tropsch Model Catalyst

(2014) Gilbère J. A. Mannie et al.   ACS Catalysis

Highly activated K-doped iron carbide nanocatalysts designed by computational simulation for Fischer–Tropsch synthesis

(2014) Ji Chan Park et al.   Journal of Materials Chemistry A

Stochastic Surface Walking Method for Structure Prediction and Pathway Searching

(2013) Cheng Shang et al.   Journal of Chemical Theory and Computation

Catalysts for Production of Lower Olefins from Synthesis Gas: A Review

(2013) Hirsa M. Torres Galvis et al.   ACS Catalysis

Surface morphology of Hägg iron carbide (χ-Fe5C2) from ab initio atomistic thermodynamics

(2012) Shu Zhao et al.   JOURNAL OF CATALYSIS

Iron Particle Size Effects for Direct Production of Lower Olefins from Synthesis Gas

(2012) Hirsa M. Torres Galvis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fe5C2 Nanoparticles: A Facile Bromide-Induced Synthesis and as an Active Phase for Fischer–Tropsch Synthesis

(2012) Ce Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Supported Iron Nanoparticles as Catalysts for Sustainable Production of Lower Olefins

(2012) H. M. Torres Galvis et al.   SCIENCE

On the Surface Chemistry of Iron Oxides in Reactive Gas Atmospheres

(2011) Emiel de Smit et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO activation pathways and the mechanism of Fischer–Tropsch synthesis

(2010) Manuel Ojeda et al.   JOURNAL OF CATALYSIS

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

(2010) Emiel de Smit et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mars-van Krevelen-like Mechanism of CO Hydrogenation on an Iron Carbide Surface

(2009) Jose M. Gracia et al.   CATALYSIS LETTERS

Density Functional Theory Study of Iron and Cobalt Carbides for Fischer−Tropsch Synthesis

(2009) Jun Cheng et al.   Journal of Physical Chemistry C

Insight into CH4Formation in Iron-Catalyzed Fischer−Tropsch Synthesis

(2009) Chun-Fang Huo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

FexOy@C Spheres as an Excellent Catalyst for Fischer−Tropsch Synthesis

(2009) Guobin Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2008) Emiel de Smit et al.   CHEMICAL SOCIETY REVIEWS

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

(2008) Emiel de Smit et al.   NATURE