Catalysis for CO2 Conversion, 2nd Edition

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Environmental Catalysis".

Deadline for manuscript submissions: 30 June 2025 | Viewed by 5256

Special Issue Editor


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Guest Editor
Department of Energy and Petroleum Engineering, University of Stavanger, 4036 Stavanger, Norway
Interests: nanomaterials design and synthesis; hydrogen and syngas production; biogas upgrading; CO2 conversion and utilization; batteries and supercapacitors; nanocatalysis; energy conversion and storage
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Dear Colleagues,

CO2, a cheap, nontoxic, and abundant carbon feedstock, has garnered significant interest from academia and industry for its conversion into valuable products. The potential to transform CO2 into fuels, chemicals, polymers, and building materials has opened up new avenues for sustainable development. Although some industrial processes utilizing CO2, such as urea synthesis, are well established, the chemical conversion of CO2 remains challenging due to its thermodynamic nature.

To address these challenges and showcase the latest advancements in CO2 conversion technologies, we are pleased to announce the second edition of our Special Issue on “Catalysis for CO2 Conversion”. This edition aims to bring together leading scientists to present their cutting-edge research in catalyst development, process design, system analysis, and multidisciplinary approaches.

We invite researchers to contribute original research papers, review articles, and short communications that delve into various aspects of CO2 conversion. Topics of interest include, but are not limited to:

  • Catalyst synthesis and characterization;
  • Reactor design and optimization;
  • Process engineering and scale-up;
  • Mechanistic investigations;
  • Numerical simulations and modelling.

Prof. Dr. Zhixin Yu
Guest Editor

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Keywords

  • CO2 conversion
  • thermocatalysis
  • electrocatalysis
  • photocatalysis
  • enzymatic
  • copolymerization

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Related Special Issue

Published Papers (5 papers)

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Research

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21 pages, 4270 KiB  
Article
Electrocatalytic Pathways and Efficiency of Cuprous Oxide (Cu2O) Surfaces in CO2 Electrochemical Reduction (CO2ER) to Methanol: A Computational Approach
by Zubair Ahmed Laghari, Wan Zaireen Nisa Yahya, Sulafa Abdalmageed Saadaldeen Mohammed and Mohamad Azmi Bustam
Catalysts 2025, 15(2), 130; https://doi.org/10.3390/catal15020130 - 29 Jan 2025
Viewed by 599
Abstract
Carbon dioxide (CO2) can be electrochemically, thermally, and photochemically reduced into valuable products such as carbon monoxide (CO), formic acid (HCOOH), methane (CH4), and methanol (CH3OH), contributing to carbon footprint mitigation. Extensive research has focused on catalysts, [...] Read more.
Carbon dioxide (CO2) can be electrochemically, thermally, and photochemically reduced into valuable products such as carbon monoxide (CO), formic acid (HCOOH), methane (CH4), and methanol (CH3OH), contributing to carbon footprint mitigation. Extensive research has focused on catalysts, combining experimental approaches with computational quantum mechanics to elucidate reaction mechanisms. Although computational studies face challenges due to a lack of accurate approximations, they offer valuable insights and assist in selecting suitable catalysts for specific applications. This study investigates the electrocatalytic pathways of CO2 reduction on cuprous oxide (Cu2O) catalysts, utilizing the computational hydrogen electrode (CHE) model based on density functional theory (DFT). The electrocatalytic performance of flat Cu2O (100) and hexagonal Cu2O (111) surfaces was systematically analysed, using the standard hydrogen electrode (SHE) as a reference. Key parameters, including free energy changes (ΔG), adsorption energies (Eads), reaction mechanisms, and pathways for various intermediates were estimated. The results showed that CO2 was reduced to CO(g) on both Cu2O surfaces at low energies. However, methanol (CH3OH) production was observed preferentially on Cu2O (111) at ΔG = −1.61 eV, whereas formic acid (HCOOH) and formaldehyde (HCOH) formation were thermodynamically unfavourable at interfacial sites. The CO2-to-methanol conversion on Cu2O (100) exhibited a total ΔG of −3.38 eV, indicating lower feasibility compared to Cu2O (111) with ΔG = −5.51 eV. These findings, which are entirely based on a computational approach, highlight the superior catalytic efficiency of Cu2O (111) for methanol synthesis. This approach also holds the potential for assessing the catalytic performance of other transition metal oxides (e.g., nickel oxide, cobalt oxide, zinc oxide, and molybdenum oxide) and their modified forms through doping or alloying with various elements. Full article
(This article belongs to the Special Issue Catalysis for CO2 Conversion, 2nd Edition)
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8 pages, 2031 KiB  
Article
Coupling Carbon Dioxide and Cyclohexane Oxide Using Metal-Free Catalyst with Tunable Selectivity of Product Under Mild Conditions
by Xuesuo Ma and Weiqing Pan
Catalysts 2024, 14(11), 822; https://doi.org/10.3390/catal14110822 - 14 Nov 2024
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Abstract
This study introduces a metal-free binary catalytic system for coupling CO2 with cyclohexane oxide (CHO) under mild conditions, allowing for tunable product selectivity. Using trans-cyclohexane diol (trans-CHD) and phosphazene superbase (P4) as catalysts, the system selectively produces [...] Read more.
This study introduces a metal-free binary catalytic system for coupling CO2 with cyclohexane oxide (CHO) under mild conditions, allowing for tunable product selectivity. Using trans-cyclohexane diol (trans-CHD) and phosphazene superbase (P4) as catalysts, the system selectively produces cyclic carbonates and oligocarbonates at 1 bar CO2 pressure and 80 °C. By adjusting the catalyst ratio, varying proportions of cis-cyclohexane carbonate (cis-CHC), trans-cyclohexane carbonate (trans-CHC), and oligocarbonate are achieved, with 51 mol% CHO conversion and respective selectivities of 36%, 31%, and 33%. The catalytic efficiency and precise control of product outcomes underscore this system’s potential. Full article
(This article belongs to the Special Issue Catalysis for CO2 Conversion, 2nd Edition)
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23 pages, 8451 KiB  
Article
Seeding as a Decisive Tool for Increasing Space-Time-Yields in the Preparation of High-Quality Cu/ZnO/ZrO2 Catalysts
by David Guse, Lucas Warmuth, Moritz Herfet, Katharina Adolf, Thomas A. Zevaco, Stephan Pitter and Matthias Kind
Catalysts 2024, 14(8), 517; https://doi.org/10.3390/catal14080517 - 9 Aug 2024
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Abstract
Aging is one of the key steps in the preparation of highly active Cu/ZnO-based catalysts for use in the production of methanol. If certain pH and temperature specifications are met, an initially amorphous precipitate transforms into the crystalline precursor phase of zincian malachite, [...] Read more.
Aging is one of the key steps in the preparation of highly active Cu/ZnO-based catalysts for use in the production of methanol. If certain pH and temperature specifications are met, an initially amorphous precipitate transforms into the crystalline precursor phase of zincian malachite, which is characterized by a periodic arrangement of Cu and Zn atoms and has proven advantageous for the quality of the final catalyst. However, aging generally takes between 30 min and multiple hours until the desired phase transformation is completed. With our study, we show that aging can be significantly accelerated by seeding the freshly precipitated suspension with already aged zincian malachite crystals: the necessary aging time was reduced by 41% for seeding mass fractions as low as 3 wt.% and from 83 min to less than 2 min for 30 wt.% seeds. No negative influence of seeding on the phase composition, specific surface area, molar metal ratios, or the morphology of the aged precursor could be identified. Consequently, the catalyst performance in the synthesis of methanol from CO2, as well as from a CO/CO2 mixture, was identical to a catalyst from an unseeded preparation and showed small advantages compared to a commercial sample. Thus, we conclude that seeding is a vital tool to accelerate the preparation of all Cu/Zn-based catalysts while maintaining product quality, presumably also on an industrial scale. Full article
(This article belongs to the Special Issue Catalysis for CO2 Conversion, 2nd Edition)
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13 pages, 3785 KiB  
Article
N-Formylation of Carbon Dioxide and Amines with EDTA as a Recyclable Catalyst under Ambient Conditions
by Qiqi Zhou, Yu Chen, Xuexin Yuan, Hai-Jian Yang, Qingqing Jiang, Juncheng Hu and Cun-Yue Guo
Catalysts 2024, 14(8), 492; https://doi.org/10.3390/catal14080492 - 31 Jul 2024
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Abstract
The reduction of CO2 is an important method to produce chemicals such as methanol, formic acid, formaldehyde, etc. In general, the reduction of CO2 is carried out at high temperatures and pressures with precious metals as catalysts, which is not favorable [...] Read more.
The reduction of CO2 is an important method to produce chemicals such as methanol, formic acid, formaldehyde, etc. In general, the reduction of CO2 is carried out at high temperatures and pressures with precious metals as catalysts, which is not favorable for industrial procedures. Thus, it will be very useful if researchers can find cost-effective catalysts for industrial application in CO2 reduction. In this work, commercially available ethylenediaminetetraacetic acid (EDTA) was tested as a cheap, non-toxic, and recyclable catalyst to initiate the N-carbonylation reaction of CO2 with amines. After screening various reaction parameters, including temperature, pressure, time, solvent, and reducing agent, the optimal reaction conditions were obtained: 80 °C, 2 MPa, 6 h, 50 mmol% catalyst dosage, 1 mL DMSO, and 1:1 molar ratio of amine to reducing agent. Notably, further studies confirmed that EDTA could also be effective for N-formylation even under ambient conditions (0.1 MPa and room temperature). The suitability of the catalyst for 26 kinds of substrates (including aliphatic amines, aromatic amines, and alicyclic amines) and its reusability were also investigated, with satisfactory results. Scale-up research has been performed effectively with a high conversion of amine (83%) to obtain the mono-formylated product selectively. Finally, the mechanism of the reaction between amine and CO2 has been proposed via control experiments and compared with results in the literature. Full article
(This article belongs to the Special Issue Catalysis for CO2 Conversion, 2nd Edition)
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Review

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138 pages, 31774 KiB  
Review
Green Ammonia, Nitric Acid, Advanced Fertilizer and Electricity Production with In Situ CO2 Capture and Utilization by Integrated Intensified Nonthermal Plasma Catalytic Processes: A Technology Transfer Review for Distributed Biorefineries
by Galip Akay
Catalysts 2025, 15(2), 105; https://doi.org/10.3390/catal15020105 - 22 Jan 2025
Viewed by 871
Abstract
An Integrated Process Intensification (IPI) technology-based roadmap is proposed for the utilization of renewables (water, air and biomass/unavoidable waste) in the small-scale distributed production of the following primary products: electricity, H2, NH3, HNO3 and symbiotic advanced (SX) fertilizers [...] Read more.
An Integrated Process Intensification (IPI) technology-based roadmap is proposed for the utilization of renewables (water, air and biomass/unavoidable waste) in the small-scale distributed production of the following primary products: electricity, H2, NH3, HNO3 and symbiotic advanced (SX) fertilizers with CO2 mineralization capacity to achieve negative CO2 emission. Such a production platform is an integrated intensified biorefinery (IIBR), used as an alternative to large-scale centralized production which relies on green electricity and CCUS. Hence, the capacity and availability of the renewable biomass and unavoidable waste were examined. The critical elements of the IIBR include gasification/syngas production; syngas cleaning; electricity generation; and the conversion of clean syngas (which contains H2, CO, CH4, CO2 and N2) to the primary products using nonthermal plasma catalytic reactors with in situ NH3 sequestration for SA fertilizers. The status of these critical elements is critically reviewed with regard to their techno-economics and suitability for industrial applications. Using novel gasifiers powered by a combination of CO2, H2O and O2-enhanced air as the oxidant, it is possible to obtain syngas with high H2 concentration suitable for NH3 synthesis. Gasifier performances for syngas generation and cleaning, electricity production and emissions are evaluated and compared with gasifiers at 50 kWe and 1–2 MWe scales. The catalyst and plasma catalytic reactor systems for NH3 production with or without in situ reactive sequestration are considered in detail. The performance of the catalysts in different plasma reactions is widely different. The high intensity power (HIP) processing of perovskite (barium titanate) and unary/binary spinel oxide catalysts (or their combination) performs best in several syntheses, including NH3 production, NOx from air and fertigation fertilizers from plasma-activated water. These catalysts can be represented as BaTi1−vO3−x{#}yNz (black, piezoelectric barium titanate, bp-{BTO}) and M(1)3−jM(2)kO4−m{#}nNr/SiO2 (unary (k = 0) or a binary (k > 0) silane-coated SiO2-supported spinel oxide catalyst, denoted as M/Si = X) where {#} infers oxygen vacancy. HIP processing in air causes oxygen vacancies, nitrogen substitution, the acquisition of piezoelectric state and porosity and chemical/morphological heterogeneity, all of which make the catalysts highly active. Their morphological evaluation indicates the generation of dust particles (leading to porogenesis), 2D-nano/micro plates and structured ribbons, leading to quantum effects under plasma catalytic synthesis, including the acquisition of high-energy particles from the plasma space to prevent product dissociation as a result of electron impact. M/Si = X (X > 1/2) and bp-{BTO} catalysts generate plasma under microwave irradiation (including pulsed microwave) and hence can be used in a packed bed mode in microwave plasma reactors with plasma on and within the pores of the catalyst. Such reactors are suitable for electric-powered small-scale industrial operations. When combined with the in situ reactive separation of NH3 in the so-called Multi-Reaction Zone Reactor using NH3 sequestration agents to create SA fertilizers, the techno-economics of the plasma catalytic synthesis of fertilizers become favorable due to the elimination of product separation costs and the quality of the SA fertilizers which act as an artificial root system. The SA fertilizers provide soil fertility, biodiversity, high yield, efficient water and nutrient use and carbon sequestration through mineralization. They can prevent environmental damage and help plants and crops to adapt to the emerging harsh environmental and climate conditions through the formation of artificial rhizosphere and rhizosheath. The functions of the SA fertilizers should be taken into account when comparing the techno-economics of SA fertilizers with current fertilizers. Full article
(This article belongs to the Special Issue Catalysis for CO2 Conversion, 2nd Edition)
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