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Papers matching “Cu(111)” 31

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Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H 2 + Cu(111), D 2 + Ag(111), H 2 + Au(111), and D 2 + Pt(111)
2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

Egidius W. F. Smeets, Geert–Jan Kroes

23

citations
Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)
2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Egidius W. F. Smeets, Geert–Jan Kroes

18

citations
Characterization of CO Adsorbed to Clean and Partially Oxidized Cu(211) and Cu(111)
2023 The Journal of Physical Chemistry C article Materials Science Catalytic Processes in Materials Science Open access

Diyu Zhang, Joost M. Bakker, Jörg Meyer, Aart W. Kleyn, Irene M. N. Groot, Otto T. Berg, +1 more

13

citations
O2 Dissociation on Cu(111) Dynamics on a Novel Screened Hybrid van der Waals DFT Potential Energy Surface
2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

Robert A. B. van Bree, Geert–Jan Kroes

3

citations
Investigation of CO Adsorption on an Oxygen-Precovered Cu(111) Surface Using Infrared Spectroscopy
2026 ACS Omega article Engineering Surface Chemistry and Catalysis Open access

Vladyslav Virchenko, Irene M. N. Groot, Ludo B. F. Juurlink, Diyu Zhang

0

citations
RAIRS Characterization of CO and O Coadsorption on Cu(111)
2022 The Journal of Physical Chemistry C article Materials Science Catalytic Processes in Materials Science Open access

Diyu Zhang, Otto T. Berg, Joost M. Bakker, Jörg Meyer, Aart W. Kleyn, Ludo B. F. Juurlink

16

citations
Accurate description of the quantum dynamical surface temperature effects on the dissociative chemisorption of H2 from Cu(111)
2022 The Journal of Chemical Physics article Engineering Surface Chemistry and Catalysis Open access

Bauke Smits, L. G. B. Litjens, Mark F. Somers

9

citations
Local stiffness and work function variations of hexagonal boron nitride on Cu(111)
2021 Beilstein Journal of Nanotechnology article Physics and Astronomy Force Microscopy Techniques and Applications Open access

Abhishek Grewal, Yuqi Wang, Matthias Münks, Klaus Kern, Markus Ternes

4

citations
Adsorption Sites in the High-Coverage Limit of CO on Cu(111)
2025 The Journal of Physical Chemistry C article Engineering Surface Chemistry and Catalysis Open access

Diyu Zhang, Irene M. N. Groot, Ludo B. F. Juurlink

13

citations
Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface
2021 The Journal of Chemical Physics article Engineering Surface Chemistry and Catalysis Open access

Joy Dutta, Souvik Mandal, Satrajit Adhikari, Paul Spiering, Jörg Meyer, Mark F. Somers

14

citations
The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments
2022 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions

Bauke Smits, Mark F. Somers

12

citations
The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments 2
2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Bauke Smits, Mark F. Somers

11

citations
Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface
2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Joy Dutta, Koushik Naskar, Satrajit Adhikari, Jörg Meyer, Mark F. Somers

7

citations
Impact of Surface Modes on D 2 Scattering from Cu(111): A Time-Dependent Effective Hartree Potential Approach
2026 The Journal of Physical Chemistry C article Physics and Astronomy Surface and Thin Film Phenomena

Mantu Kumar Sah, Satrajit Adhikari, Bauke Smits, Jörg Meyer, Mark F. Somers

0

citations
Adsorption dynamics of O 2 on Cu(111): a supersonic molecular beam study
2023 Physical Chemistry Chemical Physics article Engineering Surface Chemistry and Catalysis Open access

Diyu Zhang, Aart W. Kleyn, Ludo B. F. Juurlink

10

citations
On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K
2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Mantu Kumar Sah, Koushik Naskar, Satrajit Adhikari, Bauke Smits, Jörg Meyer, Mark F. Somers

5

citations
Reactive scattering of H2 on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation
2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Bauke Smits, Mantu Kumar Sah, Koushik Naskar, Satrajit Adhikari, Jörg Meyer, Mark F. Somers

3

citations
Limits of BOSS DFT: O2 + Al(111) Dynamics on a Screened Hybrid Van der Waals DFT Potential Energy Surface
2025 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

Robert A. B. van Bree, Geert–Jan Kroes

2

citations
Multi-Orbital Charge Transfer into Nonplanar Cycloarenes Revealed with CO-Functionalized STM Tips
2026 The Journal of Physical Chemistry Letters article Engineering Surface Chemistry and Catalysis Open access

Anja Haags, Alexander Reichmann, Zilin Ruan, Qitang Fan, Larissa Egger, Hans Kirschner, +17 more

0

citations
Highly Structure‐Selective On‐Surface Synthesis of Isokekulene Versus Kekulene
2025 Angewandte Chemie International Edition article Engineering Surface Chemistry and Catalysis Open access

Zilin Ruan, Qitang Fan, Alexander Reichmann, Faming Kang, Tim Naumann, Simon Werner, +12 more

4

citations
Highly Structure‐Selective On‐Surface Synthesis of Isokekulene Versus Kekulene
2025 Angewandte Chemie article Engineering Surface Chemistry and Catalysis Open access

Zilin Ruan, Qitang Fan, Alexander Reichmann, Faming Kang, Tim Naumann, Simon Werner, +12 more

0

citations
Cyclophane with eclipsed pyrene units enables construction of spin interfaces with chemical accuracy
2021 Chemical Science article Engineering Surface Chemistry and Catalysis Open access

Marvin Metzelaars, Sebastian Schleicher, Takuma Hattori, Bogdana Borca, Frank Matthes, Sergio Sanz, +4 more

15

citations
Beyond the static corrugation model: Dynamic surfaces with the embedded atom method
2021 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

Bauke Smits, Mark F. Somers

14

citations
Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height
2022 Advanced Science article Materials Science Graphene research and applications Open access

Hao Gao, Valentina Belova, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, +6 more

23

citations
Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization
2020 ACS Nano article Chemistry Synthesis and Properties of Aromatic Compounds Open access

Anja Haags, Alexander Reichmann, Qitang Fan, Larissa Egger, Hans Kirschner, Tim Naumann, +16 more

57

citations