Recent advances in catalytic CO2 hydrogenation to alcohols and hydrocarbons
Catalytic CO 2 conversion to clean fuels and chemicals using hydrogen produced from
water with renewable energy is important for mitigating the climate change and reducing the …
water with renewable energy is important for mitigating the climate change and reducing the …
Hydrogenation of Carbon Dioxide to Value-Added Liquid Fuels and Aromatics over Fe-Based Catalysts Based on the Fischer–Tropsch Synthesis Route
Hydrogenation of CO2 to value-added chemicals and fuels not only effectively alleviates
climate change but also reduces over-dependence on fossil fuels. Therefore, much attention …
climate change but also reduces over-dependence on fossil fuels. Therefore, much attention …
Mechanism insight into MnO for CO activation and O removal processes on Co (0001) surface: A DFT and kMC study
M Zhang, S Chi, H Huang, Y Yu - Applied Surface Science, 2021 - Elsevier
Direct production of olefins from syngas is of great energy and economic significance.
Recently, many researches have reported that Mn modified Co based catalysts are of great …
Recently, many researches have reported that Mn modified Co based catalysts are of great …
The mechanism of ethanol steam reforming on the Co0 and Co2+ sites: a DFT study
MR Li, GC Wang - Journal of Catalysis, 2018 - Elsevier
It is well known that Co catalysts are efficient for ethanol steam reforming (ESR) reactions,
but whether the active site is Co 0, Co 2+, or Co 0–Co 2+ is still debated. In the present work …
but whether the active site is Co 0, Co 2+, or Co 0–Co 2+ is still debated. In the present work …
Microkinetic model validation for Fischer-Tropsch synthesis at methanation conditions based on steady state isotopic transient kinetic analysis
J Van Belleghem, J Yang, P Janssens… - Journal of Industrial and …, 2022 - Elsevier
Abstract A Single-Event MicroKinetic (SEMK) model has been extended towards the
simulation of Steady State Isotopic Transient Kinetic Analysis (SSITKA) data for Co catalyzed …
simulation of Steady State Isotopic Transient Kinetic Analysis (SSITKA) data for Co catalyzed …
The new role of pivotal intermediate CHx in CO activation and conversion to hydrocarbons on the transition metal catalysts
Z Guan, W Zhao, D Li, B Wang, CK Russell, M Fan… - Fuel, 2023 - Elsevier
Abstract Generally, in the Fischer Tropsch synthesis experiments, the pivotal intermediate
CH x (x= 1–3) are only regarded as the reactive species to participate into the reaction, and …
CH x (x= 1–3) are only regarded as the reactive species to participate into the reaction, and …
Determining the hydrocarbon chain growth pathway in Fischer–Tropsch synthesis through DFT calculations: impact of cobalt cluster size
S Veiskarami, AN Pour, E Saljoughi… - New Journal of …, 2024 - pubs.rsc.org
In the present work, the barrier energies (Eb) of CH4 formation and C–C coupling and the
mechanism of Fischer–Tropsch synthesis (FTS) on different cluster sizes of cobalt were …
mechanism of Fischer–Tropsch synthesis (FTS) on different cluster sizes of cobalt were …
A DFT Study of CO Hydrogenation on Graphene Oxide: Effects of Adding Mn on Fischer–Tropsch Synthesis
H Bakhtiari, S Sarabadani Tafreshi, M Torkashvand… - Catalysts, 2024 - mdpi.com
The hydrogenation of carbon monoxide (CO) offers a promising avenue for reducing air
pollution and promoting a cleaner environment. Moreover, by using suitable catalysts, CO …
pollution and promoting a cleaner environment. Moreover, by using suitable catalysts, CO …
Theoretically predicted CO adsorption and dissociation on Ru-doped Co (1 0 0) surfaces
L Liu, Q Wang, Y Liu, L Gao, B Hou, L Jia, D Li - Applied Surface Science, 2022 - Elsevier
CO adsorption and dissociation on Ru-doped Co (1 0 0) surfaces at different CO coverage
compared to clean surface were investigated based on spin-polarized density functional …
compared to clean surface were investigated based on spin-polarized density functional …
Mechanism of Fischer–Tropsch synthesis over nanosized catalyst particles: Approaches and problems of ab initio calculations
AE Kuzmin, MV Kulikova, AL Maximov - Petroleum Chemistry, 2019 - Springer
The main results of calculations of energy parameters performed by ab initio methods (DFT)
for steps of the mechanism of Fischer–Tropsch synthesis involving cobalt-and iron …
for steps of the mechanism of Fischer–Tropsch synthesis involving cobalt-and iron …