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Catalysis for Selective Hydrogenation of CO and CO2,...
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Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition

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

Deadline for manuscript submissions: 31 July 2024 | Viewed by 1310

Special Issue Editor

Prof. Dr. Zhong-Wen Liu

E-Mail Website
Guest Editor
Key Laboratory of Syngas Conversion of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi'an 710119, China
Interests: heterogeneous catalysis; Fischer-Tropsch synthesis; dry reforming of methane; carbon dioxide hydrogenation; oxidative dehydrogenation of alkanes with carbon dioxide
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The heterogeneously catalytic hydrogenation of CO & CO2 to hydrocarbons or oxygenates is one of the most important directions in the domain of C1 chemistry & chemical engineering. In the last several decades, significant progresses have been achieved in advancing the catalysis science and promoting the development of the pertinent and related industrial processes. However, controlling the selectivity of the targeted products, e.g., different hydrocarbons or grouped hydrocarbons such as lower olefins, is still a great challenge. Moreover, the rational design and/or the precise preparation of high-performance catalysts are still important issues, which require more attention. At the same time, carbon neutrality and the potential rise of green hydrogen have led to renewed interest in the hydrogenation of CO2 as a cheap carbon source. Thus, this Special Issue of Catalysts refers to the progress and innovations in the aspects of catalyst design/development and mechanistic understandings on the selective synthesis of hydrocarbons or oxygenates. Both review and original research articles on the hydrogenation of CO & CO2 are welcomed, with topics including but not limited to the following. This Special Issue is the second edition of the successful Special Issue with the same title, https://www.mdpi.com/journal/catalysts/special_issues/6KA7Z7R72I. If you would like to submit papers to this Special Issue or have any questions, please contact the editor, Mr. Ives Liu ([email protected]).

  • Fischer-Tropsch synthesis;
  • CO and/or CO2 methanation;
  • Hydrogenation of CO and/or CO2 to olefins;
  • Hydrogenation of CO and/or CO2 to aromatics;
  • Selective synthesis of oxygenates such as DME and alcohols;
  • New tandem process coupled with the hydrogenation of CO and/or CO2.

Prof. Dr. Zhong-Wen Liu
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • carbon monoxide
  • carbon dioxide
  • hydrogenation
  • hydrocarbons
  • oxygenates
  • heterogeneous catalysis

Related Special Issue

Published Papers (2 papers)

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Research

18 pages, 4997 KiB  
Article
A DFT Study of CO Hydrogenation on Graphene Oxide: Effects of Adding Mn on Fischer–Tropsch Synthesis
by Hanieh Bakhtiari, Saeedeh Sarabadani Tafreshi, Mostafa Torkashvand, Majid Abdouss and Nora H. de Leeuw
Catalysts 2024, 14(5), 294; https://doi.org/10.3390/catal14050294 - 28 Apr 2024
Viewed by 360
Abstract
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 can be transformed into valuable hydrocarbons. In this study, we elucidate the mechanistic aspects of the catalytic conversion [...] Read more.
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 can be transformed into valuable hydrocarbons. In this study, we elucidate the mechanistic aspects of the catalytic conversion of CO to hydrocarbons on the surface of manganese-doped graphene oxide (Mn-doped GO), where the GO surface includes one OH group next to one Mn adatom. To gain insight into this process, we have employed calculations based on the density functional theory (DFT) to explore both the thermodynamic properties and reaction energy barriers. The Mn adatoms were found to significantly activate the catalyst surface by providing stronger adsorption geometries. Our study concentrated on two mechanisms for CO hydrogenation, resulting in either CH4 production via the reaction sequence CO → HCO → CH2O → CH2OH → CH2 → CH3 → CH4 or CH3OH formation through the CO → HCO → CH2O → CH2OH → CH3OH pathway. The results reveal that both products are likely to be formed on the Mn-doped GO surface on both thermodynamic grounds and considering the reaction energy barriers. Furthermore, the activation energies associated with each stage of the synthesis show that the conversion reactions of CH2 + OH → CH3 + O and CH2O + OH → CH2OH + O with energy barriers of 0.36 and 3.86 eV are the fastest and slowest reactions, respectively. The results also indicate that the reactions: CH2OH + OH → CH2 + O + H2O and CH2OH + OH → CH3OH + O are the most exothermic and endothermic reactions with reaction energies of −0.18 and 1.21 eV, respectively, in the catalytic pathways. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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14 pages, 5444 KiB  
Article
Developing Multifunctional Fe-Based Catalysts for the Direct Hydrogenation of CO2 in Power Plant Flue Gas to Light Olefins
by Likui Feng, Shuai Guo, Zhiyong Yu, Yijie Cheng, Julan Ming, Xiaoning Song, Qiuyang Cao, Xiaofeng Zhu, Guanghui Wang, Di Xu and Mingyue Ding
Catalysts 2024, 14(3), 204; https://doi.org/10.3390/catal14030204 - 20 Mar 2024
Cited by 1 | Viewed by 756
Abstract
The hydrogenation of carbon dioxide (CO2) to produce light olefins is one of the most promising ways to utilize CO2 in power plant flue gas. However, the low concentration of CO2 (~10%) and the existence of water steam in [...] Read more.
The hydrogenation of carbon dioxide (CO2) to produce light olefins is one of the most promising ways to utilize CO2 in power plant flue gas. However, the low concentration of CO2 (~10%) and the existence of water steam in the flue gas pose great challenges for the catalyst design. To address these problems, we introduced a Mg promoter and hydrophobic component into the Fe-based catalyst to improve the CO2 adsorption capacity and weaken the negative effects of water. The yield of light olefins on an optimized multifunctional Fe-based catalyst increased by 37% in low-concentration CO2 hydrogenation with water steam. A variety of characterizations proved that the Mg promoter played critical roles in regulating the adsorption capacity of CO2, increasing the surface electron density of Fe species, and promoting the formation of iron carbide active sites. The hydrophobic component mainly contributed to constraining the oxidation of iron carbides via water steam. It benefited from the rational design of the catalyst, showing how our multifunctional Fe-based catalyst has great potential for practical application in CO2 utilization. Full article
(This article belongs to the Special Issue Catalysis for Selective Hydrogenation of CO and CO2, 2nd Edition)
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