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Catalysts
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Towards the Bifunctional Catalysts
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Towards the Bifunctional Catalysts

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

Deadline for manuscript submissions: closed (30 September 2020) | Viewed by 9691

Special Issue Editors

Dr. Sudip Chakraborty

E-Mail Website1 Website2
Guest Editor
Discipline of Physics, Indian Institute of Technology (IIT) Indore, Simrol, 453552, India.Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala Universitet, SE-751 05 Uppsala, Sweden
Interests: materials theory for energy scavenging; computational catalysis; 2D materials; hybrid perovskites solar cells; next-generation battery materials.
Prof. Dr. Rajeev Ahuja

E-Mail Website1 Website2
Co-Guest Editor
Head of Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala Universitet, SE-751 05 Uppsala, Sweden
Interests: computational materials science; high-pressure physics; solar cells; photocatalysis; efficient battery materials; sensors; DNA sequencing

Special Issue Information

Dear Colleagues,

Over the last few years, the field of bifunctional catalysis has been thriving. In this field, challenges are not only confined to experimental findings, but also revolve around the theoretical prediction of new catalytic materials associated with a lower overpotential. In addition to the novel oxide and metallic surfaces, ultrathin two-dimensional materials have also emerged as potential candidates to envisage bifunctional catalysis, which consists of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The effect of defect and functionalization in different catalytic materials also opens up new degrees of freedom to enhance such catalytic activities. The enormous progress of scientific activities in this field of bifunctional catalysis in last few years has prompted us to make a dedicated Special Issue on this topic. The Special Issue would highlight the recent trends in bifunctional catalysis both from computation aided theoretical and experimental perspectives. We aim to attract the cutting edge research in this field in the form of articles, communications, perspectives, and reviews, which should be novel and relevant to this field and could be timely enough to provoke the new concept of bifunctional catalysis. Scientific contributions in this Special Issue should not only deal with the present status quo of bifunctional catalysis but also lay out the future roadmap of catalysis research, which directly relates to renewable energy production for a sustainable green environment. We, therefore, encourage submissions of your best works in the exciting area of bifunctional catalysis and aim to establish the Special Issue “Towards the Bifunctional Catalysis” through rigorous screening at the editorial and reviewer levels to collect an exciting plethora of enriched publications.

Dr. Sudip Chakraborty
Prof. Rajeev Ahuja
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

  • Bifunctional catalysis
  • Hydrogen evolution reaction (HER)
  • Oxygen evolution reaction (OER)
  • Oxygen reduction reaction (ORR)
  • Effect of functionalization
  • Defect driven catalysis

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Published Papers (3 papers)

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Research

13 pages, 4943 KiB  
Article
MnS-Nanoparticles-Decorated Three-Dimensional Graphene Hybrid as Highly Efficient Bifunctional Electrocatalyst for Hydrogen Evolution Reaction and Oxygen Reduction Reaction
by Khalil ur Rehman, Shaista Airam, Long Song, Jian Gao, Qiang Guo, Yukun Xiao and Zhipan Zhang
Catalysts 2020, 10(10), 1141; https://doi.org/10.3390/catal10101141 - 3 Oct 2020
Cited by 11 | Viewed by 2980
Abstract
The search for renewable energy resources has attracted considerable research interests in electrochemical reactions of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) that are essential for fuel cells. Earth-abundant, eco-friendly and cost-effective transition metal compounds are emerging candidates as electrocatalysts in [...] Read more.
The search for renewable energy resources has attracted considerable research interests in electrochemical reactions of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) that are essential for fuel cells. Earth-abundant, eco-friendly and cost-effective transition metal compounds are emerging candidates as electrocatalysts in these reactions. Herein, we report the growth of manganese sulfide nanoparticles on three-dimensional graphene, through an easy, progressive successive ionic layer adsorption and reaction (SILAR) method, where manganese sulfide nanoparticles (MnS-NPs), diameter of 4–5 nm are homogeneously decorated on the 3D graphene matrix. The formed hybrid shows improved HER activity in 0.1 M KOH when compared to bulk MnS. Moreover, MnS-NPs@3DG is also active in catalyzing ORR, qualifying it as a new type of bifunctional electrocatalyst in alkaline media. Full article
(This article belongs to the Special Issue Towards the Bifunctional Catalysts)
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11 pages, 999 KiB  
Article
A Bifunctional Electroactive Ti4O7-Based Membrane System for Highly Efficient Ammonia Decontamination
by Wenchang Zhao, Jiancheng Mei, Yanbiao Liu, Bo Yang, Fang Li, Xiaofeng Fang, Manhong Huang and Wolfgang Sand
Catalysts 2020, 10(4), 383; https://doi.org/10.3390/catal10040383 - 1 Apr 2020
Cited by 6 | Viewed by 2330
Abstract
Herein, an electroactive filtration system, consisting of a Ti4O7 anode and a Pd-Cu co-modified nickel foam cathode, was developed and applied for the decontamination of ammonia from water. When assisted with an external electrical field, ClO• was generated on the [...] Read more.
Herein, an electroactive filtration system, consisting of a Ti4O7 anode and a Pd-Cu co-modified nickel foam cathode, was developed and applied for the decontamination of ammonia from water. When assisted with an external electrical field, ClO• was generated on the surface of the Ti4O7 anode, which then reacted selectively with ammonia to generate N2. The anodic byproduct, NO3−, could also be reduced efficiently at the functional cathode to produce N2 as well. Electron paramagnetic resonance technique and radical scavenging tests synergistically verified the essential role of ClO• during the highly efficient ammonia conversion process. Relative to conventional batch systems, the developed flow-through design demonstrated enhanced ammonia conversion kinetics, thanks to the convection-enhanced mass transport. The proposed technology also showed desirable stability across a wide environmental matrix. This work provides new insights for the development of advanced and affordable continuous-flow systems towards effective decontamination of ammonia. Full article
(This article belongs to the Special Issue Towards the Bifunctional Catalysts)
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Graphical abstract

11 pages, 669 KiB  
Article
HfS2 and TiS2 Monolayers with Adsorbed C, N, P Atoms: A First Principles Study
by Mailing Berwanger, Rajeev Ahuja and Paulo Cesar Piquini
Catalysts 2020, 10(1), 94; https://doi.org/10.3390/catal10010094 - 8 Jan 2020
Cited by 13 | Viewed by 4024
Abstract
First principles density functional theory was used to study the energetic, structural, and electronic properties of HfS 2 and TiS 2 materials in their bulk, pristine monolayer, as well as in the monolayer structure with the adsorbed C, N, and P atoms. It [...] Read more.
First principles density functional theory was used to study the energetic, structural, and electronic properties of HfS 2 and TiS 2 materials in their bulk, pristine monolayer, as well as in the monolayer structure with the adsorbed C, N, and P atoms. It is shown that the HfS 2 monolayer remains a semiconductor while TiS 2 changes from semiconductor to metallic behavior after the atomic adsorption. The interaction with the external atoms introduces localized levels inside the band gap of the pristine monolayers, significantly altering their electronic properties, with important consequences on the practical use of these materials in real devices. These results emphasize the importance of considering the interaction of these 2D materials with common external atomic or molecular species. Full article
(This article belongs to the Special Issue Towards the Bifunctional Catalysts)
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