Special Issue "Spectroscopy in Catalysis"

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

Deadline for manuscript submissions: 31 October 2020.

Special Issue Editor

Guest Editor
Prof. Ali Seifitokaldani Website 1 Website 2 E-Mail
McGill University, Department of Chemical Engineering, Montreal, Canada
Interests: electrocatalysis; CO2 reduction reaction; operando spectroscopic methods; Raman; XAS; density functional theory computation

Special Issue Information

Dear Colleagues,

Developing novel materials with superior activity and selectivity are paramount to catalytic reactions. To develop an efficient catalyst, a proper mechanistic understanding of the reaction pathways and identification of reactive sites are indispensable. However, the clear identification of the catalytic active sites and elucidation of the reaction mechanisms in many reactions still remain elusive. Some of the major unanswered questions pertaining to those reactions are (1) identification of the catalyst active sites, (2) the chemical and structural changes of the catalysts during the reaction, and (2) identification of the reaction intermediates. The chemical and structural changes of the catalysts may affect their stability, activity, and selectivity toward certain product(s), while detection of the intermediates provides insightful information about the mechanisms of the reaction processes. In this vein, ex situ measurements are valuable techniques to determine the chemical and physical properties of the catalyst, before and after the reaction; however, they do not provide accurate information about the reaction intermediates and the catalyst during the reaction. Operando Raman spectroscopy and X-ray absorption spectroscopy, just to name a few, are powerful tools to investigate the reaction intermediates and also to track changes on the catalyst under the reaction conditions.

Submission to this special issue on “Spectroscopy in Catalysis”, are welcome as original paper, short review or perspective that reflect the state of research and future of the utilization of spectroscopic methods in catalytic reactions. We are particularly interested in utilization of in-situ Raman, XAS (EXAFS and XANES), IR and their contribution in understanding the catalytic reaction mechanisms, thereby enabling the rationale design of targeted catalysts. Computational studies that model the spectroscopy results are also welcome in this special issue.

Prof. Ali Seifitokaldani
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.


  • in-situ operando spectroscopy for catalysis
  • vibrational spectroscopy
  • Raman
  • IR
  • X-ray absorption spectroscopy
  • extended X-ray absorption fine structure (EXAFS)
  • X-ray absorption near edge spectroscopy (XANES)
  • computational modelling of the spectra

Published Papers

This special issue is now open for submission.
Back to TopTop