Spectroscopy in Catalysis
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".
Deadline for manuscript submissions: closed (31 October 2020) | Viewed by 14552
Special Issue Editor
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
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Keywords
- 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
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