Volume 66, Issue 15-16

September 2023

From Coadsorption and Catalysis at Solid Surfaces to Liquid- Solid Interfaces in Theory and Experiment (Irsee IX Symposium). Editors: Günther Rupprechter . Zdenek Dohnálek. Anthony F. Volpe Jr

Issue Editors:

Guenther Rupprechter,
Anthony F. Volpe Jr,
Zdenek Dohnálek

18 articles in this issue

Preface to “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)”
Günther Rupprechter
Zdenek Dohnálek
Anthony F. Volpe Jr.
Preface 14 August 2023 Pages: 1071 - 1072
Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective
L. Gura
E. A. Soares
H.-J. Freund
Original Paper Open access 25 January 2023 Pages: 1073 - 1086
Insights into Acetic Acid Binding and Ketene Formation on Anatase TiO₂(101)
Christopher R. O’Connor
Runze Ma
Zdenek Dohnálek
Original Paper 03 June 2023 Pages: 1087 - 1101
Advanced Kinetic and Titration Strategies for Assessing the Intrinsic Kinetics on Oxide and Sulfide Catalysts
Guangming Cai
William T. Broomhead
Haiting Cai
Original Paper 01 September 2023 Pages: 1102 - 1119
Water Splitting on a Pt₁/C₃N₄ Single Atom Catalyst: A Modeling Approach
Clara Saetta
Giovanni Di Liberto
Gianfranco Pacchioni
Original Paper Open access 21 March 2023 Pages: 1120 - 1128
Kinetic and Computational Studies of CO Oxidation and PROX on Cu/CeO₂ Nanospheres
Parinya Tangpakonsab
Alexander Genest
Günther Rupprechter
Original Paper Open access 31 July 2023 Pages: 1129 - 1142
Enhancing Phenol Adsorption on Hydrophobic Pd/SiO₂ to Achieve Faster and More Selective Hydrogenation
Jason A. Chalmers
Hyunjin Moon
Susannah L. Scott
Original Paper 19 August 2023 Pages: 1143 - 1151
3D-Printed Boron Nitride Catalytic Monoliths for Oxidative Dehydrogenation of Propane
Theodore Agbi
Wei-Shang Lo
Ive Hermans
Original Paper 05 May 2023 Pages: 1152 - 1160
Combined Operando XANES and NMR and ESR Spectroscopies for the Determination of VPO Dynamic States
M. Olga Guerrero-Pérez
Olga B. Lapina
Miguel A. Bañares
Original article Open access 29 May 2023 Pages: 1161 - 1170
Grand Canonical Quantum Mechanics with Applications to Mechanisms and Rates for Electrocatalysis
William A. Goddard III
Jie Song
Original Paper 15 March 2023 Pages: 1171 - 1177
Structure and Reactivity of the Ionic Liquid [C₁C₁Im][Tf₂N] on Cu(111)
Rajan Adhikari
Stephen Massicot
Hans-Peter Steinrück
Original Paper Open access 11 April 2023 Pages: 1178 - 1195
Activity of Brønsted Acid Sites in UiO-66 for Cyclohexanol Dehydration
Feng Chen
Sungmin Kim
Johannes A. Lercher
Original Paper 21 July 2023 Pages: 1196 - 1201
Thermal Stability and CO Permeability of [C₄C₁Pyr][NTf₂]/Pd(111) Model SCILLs: from UHV to Ambient Pressure
Roman Eschenbacher
Simon Trzeciak
Jörg Libuda
Original Paper Open access 01 April 2023 Pages: 1202 - 1216
Strategies for Designing the Catalytic Environment Beyond the Active site of Heterogeneous Supported Metal Catalysts
Samiha Bhat
Yomaira J. Pagán-Torres
Eranda Nikolla
Review Paper 12 June 2023 Pages: 1217 - 1243
On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis
Björn Kirchhoff
Elvar Ö. Jónsson
Hannes Jónsson
Original Paper Open access 27 May 2023 Pages: 1244 - 1259
Enhancing Hydrogen Diffusion in Catalytic Removal of Nitrate Using a Flow Reactor
Hongjie Tang
Emily Jeng
Feng Jiao
Original Paper 29 June 2023 Pages: 1260 - 1269
Electrochemical Scanning Tunneling Microscopy as a Tool for the Detection of Active Electrocatalytic Sites
Thorsten O. Schmidt
Richard W. Haid
Aliaksandr S. Bandarenka
Original Paper Open access 30 March 2023 Pages: 1270 - 1279
The Catalytic Role of Electrons and Positrons in the Synthesis of Chemicals and of Hadrons
Constantinos G. Vayenas
Dionysios Tsousis
Original Paper Open access 24 April 2023 Pages: 1280 - 1284

Volume 66, Issue 15-16

Preface to “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)”

Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective

Insights into Acetic Acid Binding and Ketene Formation on Anatase TiO₂(101)

Advanced Kinetic and Titration Strategies for Assessing the Intrinsic Kinetics on Oxide and Sulfide Catalysts

Water Splitting on a Pt₁/C₃N₄ Single Atom Catalyst: A Modeling Approach

Kinetic and Computational Studies of CO Oxidation and PROX on Cu/CeO₂ Nanospheres

Enhancing Phenol Adsorption on Hydrophobic Pd/SiO₂ to Achieve Faster and More Selective Hydrogenation

3D-Printed Boron Nitride Catalytic Monoliths for Oxidative Dehydrogenation of Propane

Combined Operando XANES and NMR and ESR Spectroscopies for the Determination of VPO Dynamic States

Grand Canonical Quantum Mechanics with Applications to Mechanisms and Rates for Electrocatalysis

Structure and Reactivity of the Ionic Liquid [C₁C₁Im][Tf₂N] on Cu(111)

Activity of Brønsted Acid Sites in UiO-66 for Cyclohexanol Dehydration

Thermal Stability and CO Permeability of [C₄C₁Pyr][NTf₂]/Pd(111) Model SCILLs: from UHV to Ambient Pressure

Strategies for Designing the Catalytic Environment Beyond the Active site of Heterogeneous Supported Metal Catalysts

On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis

Enhancing Hydrogen Diffusion in Catalytic Removal of Nitrate Using a Flow Reactor

Electrochemical Scanning Tunneling Microscopy as a Tool for the Detection of Active Electrocatalytic Sites

The Catalytic Role of Electrons and Positrons in the Synthesis of Chemicals and of Hadrons

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