Progress in Electronic and Vibrational Spectroscopy of Catalytic Materials and Catalytic Reactions: Theoretical and Experimental Studies

Abstract

This special issue of Topics in Catalysis is based primarily on papers presented at the symposium on progress in spectroscopic studies relevant to catalysis held 19–23 August, 2012 at the 244th ACS National meeting in Philadelphia, Pennsylvania. The objective of the symposium was to bring together researchers in the fields of catalysis, surface science, and theory interested in various spectroscopies that can be used to study and understand catalytic materials and processes. The focus of the papers presented at the symposium was twofold. One focus concerned understanding the fundamental chemical and physical properties of the spectroscopies themselves and the other concerned the application of these spectroscopies to determine and elucidate catalytic reactions and processes. A key emphasis was for photoemission spectroscopies, including both core and valence level photoemission, and for vibrational spectroscopies, including both infrared and Raman. The successful design of catalytic materials requires an in depth, fundamental understanding of their physicochemical surface and bulk properties in addition to reaction kinetics and thermodynamic limitations. Among the processes of interest in this symposium were selective oxidation of hydrocarbons, CO/H2 conversion to C2 and C3 olefins and alcohols, hydrogen generation from renewable sources and CO2 conversion to hydrocarbons. For the correct interpretation of results obtained by the wide range of spectroscopic techniques used to study these materials, it is important to have theoretical guidance for the chemical and physical significance of the spectra. The papers presented at the symposium were in the following three broadly defined categories: (1) In-situ and Operando spectroscopy of catalytic materials and reactions, (2) Modeling of surfaces and surface reactions, and (3) electronic structure of surfaces and interfaces. This proceedings issue begins with the plenary paper presented by Dr. Somorjai on the catalytic activity and selectivity of supported nano-particles. There are two papers, one a theoretical study and the other an experimental study, concerned with core level spectroscopies and a paper concerned with Raman imaging of a surface of a surface reaction. Surface electronic structure theory for the analysis of catalytic reactions is also represented by two papers. Two papers deal with fundamental aspects of the technologically important catalytic production of hydrogen. These papers point the way to a future with an ample supply of energy. One paper is concerned with the properties of the surfaces of actinide oxides, materials with a potential for substantial catalytic activity. Finally, it is noted that two papers specifically address the properties and catalytic activity of metal nanoparticles. H. Idriss Department of Chemistry, University of Aberdeen, Aberdeen, UK