Special Issue "Advances in Catalytic Fundamentals and Catalyst Design"

A special issue of Catalysts (ISSN 2073-4344).

Deadline for manuscript submissions: 15 February 2020.

Special Issue Editor

Guest Editor
Dr. Rachel B. Getman Website E-Mail
Clemson University, Department of Chemical and Biomolecular Engineering, Clemson, United States
Phone: (864) 656-5423
Interests: computational catalysis; fundamentals of condensed phase heterogeneous catalysis ; catalyst composition and function under actual reaction conditions ; catalysis with metal–organic frameworks ; design of single atom catalysts

Special Issue Information

Dear Colleagues,

Our understanding of catalytic phenomena and how they influence catalytic performance is burgeoning, and this can be contributed to advances in computational and experimental methods. Furthermore, it has advanced the field of catalyst design. In this Special Issue, we welcome original research papers and short reviews on any topic that highlights an advancement in catalyst fundamentals or catalyst design. Examples could include advancements in experimental or computational methods, the identification of a catalytic reaction mechanism, the elucidation of catalytic phenomena that influence catalytic performance, identifying the catalytic active sites, the influence of reaction conditions on active site composition, solvent effects, catalyst deactivation, phenomena that explain how different catalyst materials lead to different catalyst performances, the screening and/or design of catalyst materials or properties, the screening and/or design of catalytic reaction conditions, the screening and/or design of solvents in catalytic reactions, the performance and/or design of novel catalysts, and breakthroughs in catalyst design. We welcome contributions from experimental groups and computational groups as well as experimental/computational collaborations.

Dr. Rachel B. Getman
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 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 1600 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.


  • Methods advancement
  • Catalytic mechanisms
  • Structure–function relationships
  • Reaction conditions
  • Catalyst screening and design

Published Papers

This special issue is now open for submission, see below for planned papers.

Planned Papers

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: Reversible generation of active structure of iron catalyst for ammonia synthesis
Author: Ken-ichi Aika
Affiliation: Material- and bio-engineering division, Graduate School of Science and Technology, Kumamoto University, Kumamoto 860-8555

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