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Catalysts
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Catalysts in C1 Chemistry
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Catalysts in C1 Chemistry

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

Deadline for manuscript submissions: closed (20 December 2022) | Viewed by 8876

Special Issue Editors

Prof. Dr. Xingchen Liu

E-Mail Website
Guest Editor
Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China
Interests: multiscale modeling of heterogeneous catalysis in operando conditions; machine learning in heterogeneous catalysis; Fischer–Tropsch synthesis
Prof. Dr. Botao Teng

E-Mail Website
Guest Editor
School of Chemical Engineering & Material Science, Tianjin University of Science and Technology (TUST), Tianjin 300457, China
Interests: structure and reaction mechanism of catalysts; catalysis spectroscopy; reaction dynamics of catalysis; synthesis and structure–property relationship of catalysts
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

C1 catalysts refer to catalysts that convert molecules containing just a single carbon atom. Historically, concerns about diminishing petroleum supply have given rise to a growing interest in generating synthetic fuels from feedstocks such as coal, biomass, and nature gas through C1 chemistry. The most notable reactions in this category are Fischer–Tropsch synthesis and methanol conversion reactions. More recently, CO2 utilization has attracted enormous attention due to the impacts of greenhouse gas emissions and global climate change. The capture and utilization of CO2 to create valuable products has great potential to lower the net costs of reducing emissions. This Special Issue of Catalysts will attempt to cover the most recent advances in CO selective hydrogenation, CO2 capture and utilizaiton, CH3OH conversion reactions, as well as the conversion of other C1 molecules in thermal, electro-, and photocatalysis. We believe that this topic has both academic and technological importance and offers exciting new advances in C1 catalysts in the design and development of catalysts in the conversion of C1 chemistry.

The format of welcomed articles includes full papers, communications, and reviews. Potential topics include but are not limited to:

  1. Fischer–Tropsch Synthesis and CO selective hydrogenation into chemicals;
  2. CO2 capture and utilization;
  3. Methanol conversion;
  4. Photocatalytic and electrocatalytic transformations of C1 molecules;
  5. Theoretical chemistry in C1 conversion including multiscale simulation by different theoretical methods.

Prof. Dr. Xingchen Liu
Prof. Dr. Botao Teng
Guest Editors

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 2200 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

  • Fischer Tropsch Synthesis and CO selective hydrogenation into chemicals
  • CO2 utilization
  • Methanol Conversion
  • Photocatalytic and electrocatalytic transformations of C1 molecules
  • Theoretical chemistry in C1 conversion including multiscale simulation by different theoretical methods

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Published Papers (3 papers)

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Research

20 pages, 7233 KiB  
Article
Performance of Modified Alumina-Supported Ruthenium Catalysts in the Reforming of Methane with CO2
by Silvia Carolina Palmira Maina, Irene María Julieta Vilella, Adriana Daniela Ballarini and Sergio Rubén de Miguel
Catalysts 2023, 13(2), 338; https://doi.org/10.3390/catal13020338 - 3 Feb 2023
Cited by 2 | Viewed by 2065
Abstract
Ruthenium (1 wt%) catalysts supported on alumina doped with alkaline (Na and K) and alkaline earth metals (Ba, Ca, and Mg) of different concentrations (1, 5, and 10 wt%) were tested in the dry reforming of methane. All catalysts were prepared by the [...] Read more.
Ruthenium (1 wt%) catalysts supported on alumina doped with alkaline (Na and K) and alkaline earth metals (Ba, Ca, and Mg) of different concentrations (1, 5, and 10 wt%) were tested in the dry reforming of methane. All catalysts were prepared by the successive impregnation method. Supports were characterized by X-ray diffraction, BET surface area, temperature-programmed desorption of CO2, and 2-propanol dehydration. Additionally, catalysts were characterized by temperature-programmed reduction (TPR), temperature-programmed oxidation (TPO), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Stability tests to study coke deposition were performed using long-time dry reforming reactions. All the catalysts showed good catalytic activity, and activity falls were never detected. Ru metallic phase seemed to be resistant to coke formation even though its particles are sintered during a long-term reaction. Full article
(This article belongs to the Special Issue Catalysts in C1 Chemistry)
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14 pages, 4092 KiB  
Article
Ni/CeO2 Catalyst Prepared via Microimpinging Stream Reactor with High Catalytic Performance for CO2 Dry Reforming Methane
by Yadong Wang, Qing Hu, Ximing Wang, Yanpeng Huang, Yuanhao Wang and Fenghuan Wang
Catalysts 2022, 12(6), 606; https://doi.org/10.3390/catal12060606 - 2 Jun 2022
Cited by 2 | Viewed by 2452
Abstract
Methane reforming with carbon dioxide (DRM) is one promising way to achieve carbon neutrality and convert methane to syngas for high-value chemical production. Catalyst development with better performance is the key to its potential large-scale industrial application due to its deactivation caused by [...] Read more.
Methane reforming with carbon dioxide (DRM) is one promising way to achieve carbon neutrality and convert methane to syngas for high-value chemical production. Catalyst development with better performance is the key to its potential large-scale industrial application due to its deactivation caused by carbon deposition and metal sintering. Hence, a Ni/CeO2 catalyst (Ni/CeO2-M) with higher CO2 conversion and better stability is prepared, supported on CeO2 precipitated via a novel microimpinging stream reactor. A series of ex-situ or in-situ characterizations, such as CO titration measurements, two-step transient surface reaction (two-step TSR), CO2 and CH4 temperature-programmed surface reaction (CO2-TPSR and CH4-TPSR), X-ray absorption fine structure (XAFS), and in-situ Raman spectroscopy study, were used to investigate its structure and mechanism. In contrast to Ni supported on commercial CeO2 (Ni/CeO2-C), the Ni/CeO2-M catalyst with stronger lattice oxygen mobility and higher oxygen storage capacity enhances its CO2 activation ability and carbon deposition. The Ni particle size of the Ni/CeO2-M catalyst decreased, and a higher oxidation state was obtained due to the strong metal–support interaction. Besides the reaction performance improvement of the Ni/CeO2-M catalyst, the novel microimpinging stream reactor could achieve catalyst continuous production with a high preparation efficiency. This work provides a novel method for the high-performance catalyst preparation for DRM reaction and its mechanism study gives a deep insight into high-performance catalyst development via bottom-up study. Full article
(This article belongs to the Special Issue Catalysts in C1 Chemistry)
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11 pages, 5219 KiB  
Article
Water Gas Shift Reaction Activity on Fe (110): A DFT Study
by Xiaoyan Liu, Zeyu Ma, Xinhua Gao, Miaomiao Bai, Yajun Ma and Yu Meng
Catalysts 2022, 12(1), 27; https://doi.org/10.3390/catal12010027 - 27 Dec 2021
Cited by 6 | Viewed by 3037
Abstract
Metal Fe is one of the phases existing on iron-based catalysts for a high-temperature water gas shift reaction (WGSR), but research on the activity of metal Fe in WGSR is almost not reported. In this work, the density functional theory (DFT) method was [...] Read more.
Metal Fe is one of the phases existing on iron-based catalysts for a high-temperature water gas shift reaction (WGSR), but research on the activity of metal Fe in WGSR is almost not reported. In this work, the density functional theory (DFT) method was used to systematically study the reaction activity and mechanisms of WGSR on metal Fe (110), including the dissociation of H2O, the transformation of CO and the formation of H2, as well as the analysis of surface electronic properties. The results show that (1) the direct dissociation of H2O occurs easily on Fe (110) and the energy barrier is less than 0.9 eV; (2) the generation of CO2 is difficult and its energy barrier is above 1.8 eV; (3) H migrates easily on the Fe surface and the formation of H2 also occurs with an energy barrier of 1.47 eV. Combined with the results of Fe3O4, it can be concluded that the active phase should be Fe3O4 with O vacancy defects, and the iron-rich region plays an important role in promoting the formation of H2 in WGSR. Full article
(This article belongs to the Special Issue Catalysts in C1 Chemistry)
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