Special Issue "Experimental and Theoretical Studies of Active Sites in Catalysts"
Deadline for manuscript submissions: 31 August 2021.
Interests: Computational Chemistry and Reaction Engineering
Tremendous progress has been achieved for developing and improving catalysis technology in the past century. However, in the past, the development of new catalysts largely relied on trial-and-error experiments, which is a tedious and costly approach. One of the major challenges that limit intelligent catalyst design was the difficulty in identifying the active sites and unraveling their roles in reaction mechanisms. However, recent advances in experimental and computational techniques have made it possible to better characterize active sites and determine their functionality in reaction pathways. This progress has opened the door toward a more detailed understanding of catalytic chemistry, and hence allows for the intelligent design of novel catalysts. This Special Issue will focus on the latest research on the synthesis and characterization of active sites, as well as the investigation of the effects of active sites in catalytic reactions. All experimental and computational studies falling within the scope are welcome for submission.
Dr. Yi-Pei Li
Dr. Yung-Tin (Frank) Pan
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 papers will be 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 2000 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.
- Catalyst characterization
- Structure–activity relationship
- Reaction mechanism
- Density functional theory
- Catalyst development
- Catalyst deactivation
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Title: Electronic structure and activity trends of Ni/Co spinel oxides as bifunctional oxygen electrodes
Authors: Blake Bryson; Joseph Gomes; Mubeen Syed
Affiliation: Department of Chemical and Biochemical Engineering, University of Iowa
Abstract: Spinels have received attention as low-cost bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) electrocatalysts which are vital for green energy storage and conversion technologies. Ni/Co spinel oxide systems have been the focus of study for their low overpotentials towards the ORR & OER while consisting of earth-abundant materials. In this study, density functional theory (DFT) is used in tandem with benchtop characterization to show the active site and activity trends of 4 Ni/Co spinel oxides of varying Co:Ni ratios. The best-performing catalysts were 2Co:1Ni and 5Co:1Ni spinel oxides that exhibited comparable overpotentials to benchmark Pt/Ir catalysts and showed less than 6% increase in overpotential over 24-hour degradation tests in alkaline media, indicating higher Co:Ni ratios result in better ORR & OER activity.
Title: A review of scanning electrochemical microscopy for visualization of local catalytic activity
Authors: Anant Preet; Tzu-En Lin
Affiliation: 1 Institute of Biomedical Engineering, College of Electrical and Computer Engineering, National Chiao Tung University, 30010 Hsinchu, Taiwan; [email protected] 2 Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan No.1, Section 4, Roosevelt Road, Taipei, Taiwan; [email protected] 3 Chemical Biology and Molecular Biophysics Program, Taiwan International Graduate Program, Insti-tute of Biological Chemistry, Academia Sinica, Nankang, Taipei, Taiwan; [email protected]
Abstract: Scanning electrochemical microscopy (SECM) is a powerful scanning probe technique for meas-uring the in situ electrochemical reaction of a sample interphase, such as liquid-liquid or sol-id-liquid. The tip/probe of SECM is usually an ultramicroelectrode (UME) or a nanoelectrode which can move towards or over the sample of interest controlled by precise motor positioning systems. SECM is an excellent tool for characterization and screening catalysts since the probe can scan rapidly along with one direction over the sample array containing a large number of different compositions. Moreover, several SECM modes can be applied according to the catalytic reactions we would like to study. The aim of this review is to present a brief overview on recent applications of electrocatalysts and their kinetics or catalytic sites in electrochemical reactions, such as oxygen reduction, water oxidation, and methanol oxidation.
Title: Active site blocking or protecting? The Pros and Cons of Nafion ionomer on polycrystalline Pt ORR catalyst
Authors: Yung-Tin Pan
Affiliation: Department of Chemical Engineering, National Tsing Hua University, Hsinchu, Taiwan