Volume 65, Issue 7-8

Search all Topics in Catalysis articles

June 2022

Experiments and Theory: A Joint Venture in Catalysis and Surface Chemistry. Editors: Sebastian Collins . Paola Quaino

Issue Editors:

Sebastián E. Collins,
Paola Quaino

19 articles in this issue

Preface to the special issue on experiments and theory
Sebastian Collins
Paola Quaino
Preface 05 July 2022 Pages: 765 - 765
Surface Functionalization of Mesoporous Co₃O₄ and MnO_x with Sodium for the Soot Oxidation Reaction
Juan C. Medina
Omar Miguel-Lopez
Rodolfo Zanella
Original Paper 25 February 2022 Pages: 766 - 778
Elucidating Active CO–Au Species on Au/CeO₂(111): A Combined Modulation Excitation DRIFTS and Density Functional Theory Study
Jakob Weyel
Marc Ziemba
Christian Hess
Original Paper Open access 01 March 2022 Pages: 779 - 787
Steady State Kinetic Study of the Formic Acid Electrooxidation Reaction on Iridium in a Flow Cell
María A. Montero
María R. Gennero de Chialvo
Abel C. Chialvo
Original Paper 14 March 2022 Pages: 788 - 797
Influence of the Preparation Method of Au, Pd, Pt, and Rh/TiO₂ Nanostructures and Their Catalytic Activity on the CO Oxidation at Low Temperature
R. Camposeco
A. E. Torres
R. Zanella
Original Paper 02 April 2022 Pages: 798 - 816
A Study of the Molecular Moieties Involved in Oxidation/Reduction via the Coupling of DFT and Electrochemical Data
Sarah Fonseca
Lis Regiane V. Favarin
Leandro M. C. Pinto
Original Paper 10 February 2022 Pages: 817 - 823
Synthesis and Theoretical–Experimental Characterization of BiOBr: The Role of Oxygen and Halide Vacancies on the Optoelectric Properties of this Bismuth Oxyhalide
Cecilia I. N. Morgade
Ana B. Schvval
Gabriela F. Cabeza
Original Paper 16 March 2022 Pages: 824 - 838
Ethanol adsorption on Ni doped Mo₂C(001): a theoretical study
M. J. Jiménez
M. Sosa Lissarrague
A. Juan
Original Paper 08 March 2022 Pages: 839 - 847
Elucidation of the IR of Cu and Mn substituted intraframework SiBEA zeolites
Etienne P. Hessou
Michael Badawi
Frederik Tielens
Original Paper 07 April 2022 Pages: 848 - 858
Quantitative Evaluation of Supported Catalysts Key Properties from Electron Tomography Studies: Assessing Accuracy Using Material-Realistic 3D-Models
A. Bouzaine
J. M. Muñoz-Ocaña
M. López-Haro
Original Paper Open access 04 June 2022 Pages: 859 - 870
New Insights into the Effect of the Zeolites Framework Topology on the Esterification Reactions: A Comparative Study from Experiments and Theoretical Calculations
Glaucio José Gomes
María Fernanda Zalazar
Pedro Augusto Arroyo
Original Paper 27 March 2022 Pages: 871 - 886
Trifunctional Catalysts for Overall Water Splitting and Oxygen Reduction Reaction Derived from Co,Ni MOFs
Ana Katherine Díaz-Duran
Guido Iadarola-Pérez
Federico Roncaroli
Original Paper 13 April 2022 Pages: 887 - 901
Effect of Rhenium on the Catalytic Activity of Activated Carbon-Supported Nickel Applied in the Hydrogenation of Furfural and Levulinic Acid
Claudio R. A. de Abreu
Pardis Simon
Fabio S. Toniolo
Original Paper 18 March 2022 Pages: 902 - 914
Mechanistic Investigation of Methanol Oxidation on Au/TiO₂: A Combined DRIFT and DFT Study
G. D. Belletti
E. Colombo
S. Collins
Original Paper 10 May 2022 Pages: 915 - 925
Structure−Reactivity Relationship of \(\hbox {Pt}_n\) (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study
José L. Nuñez
Gustavo D. Belletti
Paola Quaino
Original Paper 23 April 2022 Pages: 926 - 933
Toluene Adsorption on CeO₂ (111) Studied by FTIR and DFT
Laura Heredia
Estefania Colombo
Sebastián Collins
Original Paper 27 May 2022 Pages: 934 - 943
A Simple Molecular Model to Study the Substrate Diffusion into the Active Site of a Lipase-Catalyzed Esterification of Ibuprofen and Ketoprofen with Glycerol
María Victoria Toledo
Laura E. Briand
María Luján Ferreira
Original Paper 17 June 2022 Pages: 944 - 956
Sulfonated Reduced Graphene Oxide: An Acid Catalyst that Efficiently Promotes the Esterification of Glycerol
Luisa Damaris Ramos Riascos
Alfonso Enrique Ramírez Sanabria
Cristian David Miranda Muñoz
Original Paper 07 June 2022 Pages: 957 - 965
Surface Reactivity of Lithium (Poly)sulfides in a Polarizable Environment from First Principles
Martin E. Zoloff Michoff
Flavia E. Lobo Maza
Ezequiel P. M. Leiva
Original Paper 10 June 2022 Pages: 966 - 978

Volume 65, Issue 7-8

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