Experimental and Theoretical Studies of Active Sites in Catalysts
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".
Deadline for manuscript submissions: closed (31 March 2022) | Viewed by 13349
Special Issue Editors
Interests: computational chemistry and reaction engineering
Special Issue Information
Dear Colleagues,
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
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 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
- Catalyst characterization
- Structure–activity relationship
- Reaction mechanism
- Density functional theory
- Catalyst development
- Catalyst deactivation
