22
views
0
recommends
+1 Recommend
0 collections
    0
    shares
      • Record: found
      • Abstract: found
      • Article: found
      Is Open Access

      The Nature and Catalytic Function of Cation Sites in Zeolites: a Computational Perspective

      1 , 1 , 2
      ChemCatChem
      Wiley

      Read this article at

      Bookmark
          There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

          Related collections

          Most cited references320

          • Record: found
          • Abstract: found
          • Article: not found

          Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

          Metal species with different size (single atoms, nanoclusters, and nanoparticles) show different catalytic behavior for various heterogeneous catalytic reactions. It has been shown in the literature that many factors including the particle size, shape, chemical composition, metal–support interaction, and metal–reactant/solvent interaction can have significant influences on the catalytic properties of metal catalysts. The recent developments of well-controlled synthesis methodologies and advanced characterization tools allow one to correlate the relationships at the molecular level. In this Review, the electronic and geometric structures of single atoms, nanoclusters, and nanoparticles will be discussed. Furthermore, we will summarize the catalytic applications of single atoms, nanoclusters, and nanoparticles for different types of reactions, including CO oxidation, selective oxidation, selective hydrogenation, organic reactions, electrocatalytic, and photocatalytic reactions. We will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities (single atoms, nanoclusters, and nanoparticles) in a unifying manner.
            Bookmark
            • Record: found
            • Abstract: not found
            • Article: not found

            Catalytic conversion of biomass to biofuels

              Bookmark
              • Record: found
              • Abstract: not found
              • Article: not found

              Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

                Bookmark

                Author and article information

                Journal
                ChemCatChem
                ChemCatChem
                Wiley
                1867-3880
                1867-3899
                October 24 2018
                January 09 2019
                December 10 2018
                January 09 2019
                : 11
                : 1
                : 134-156
                Affiliations
                [1 ]Department Chemical EngineeringDelft University of Technology Van der Maasweg 9 Delft 2629 HZ The Netherlands
                [2 ]ITMO University Lomonosova str. 9 St. Petersburg 191002 Russia
                Article
                10.1002/cctc.201801493
                ba4c570f-a95d-43d7-8315-e2d978343ce5
                © 2019

                http://creativecommons.org/licenses/by-nc/4.0/

                http://doi.wiley.com/10.1002/tdm_license_1.1

                History

                Comments

                Comment on this article