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Jan Kloppenburg
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Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO2(110)
DY Kuo, JK Kawasaki, JN Nelson, J Kloppenburg, G Hautier, KM Shen, ...
Journal of the American Chemical Society 139 (9), 3473-3479, 2017
2922017
Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in …
DY Kuo, H Paik, J Kloppenburg, B Faeth, KM Shen, DG Schlom, G Hautier, ...
Journal of the American Chemical Society 140 (50), 17597-17605, 2018
2022018
Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization
G Wan, JW Freeland, J Kloppenburg, G Petretto, JN Nelson, DY Kuo, ...
Science advances 7 (2), eabc7323, 2021
1492021
All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
C Liu, J Kloppenburg, Y Yao, X Ren, H Appel, Y Kanai, V Blum
The Journal of Chemical Physics 152 (4), 2020
482020
Sr3CrN3: A New Electride with a Partially Filled d-Shell Transition Metal
P Chanhom, KE Fritz, LA Burton, J Kloppenburg, Y Filinchuk, A Senyshyn, ...
Journal of the American Chemical Society 141 (27), 10595-10598, 2019
482019
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
J Kloppenburg, LB Pártay, H Jónsson, MA Caro
The Journal of Chemical Physics 158 (13), 134704, 2023
82023
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
J Kloppenburg, A Pedersen, K Laasonen, MA Caro, H Jónsson
Nanoscale 14 (25), 9053-9060, 2022
42022
Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals
C Liu, J Kloppenburg, X Ren, H Appel, Y Kanai, V Blum
arXiv preprint arXiv:1908.01431, 2019
12019
Improved ab-initio research of hydrogen coverage on ruthenium oxide and iridium oxide
J Kloppenburg
UCL-Université Catholique de Louvain, 2023
2023
The (33)-SiC-() Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search
J Kloppenburg, L Nemec, B Lange, M Scheffler, V Blum
arXiv preprint arXiv:1910.09608, 2019
2019
The (3× 3)-SiC-(¯ 1¯ 1¯ 1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search
J Kloppenburg, L Nemec, B Lange, M Scheffler, V Blum
arXiv preprint arXiv:1910.09608, 2019
2019
Oxygen Electro-Adsorption Measurements on IrO2(110) and RuO2(110): Evidence for Scaling Relations and Design Insights for Oxygen-Evolution Catalysts
DY Kuo, H Paik, JN Nelson, J Kloppenburg, G Hautier, KM Shen, ...
Electrochemical Society Meeting Abstracts 233, 1782-1782, 2018
2018
Benchmark of Ab Initio Bethe-Salpeter Equation Approach with Numeric Atom-Centered Orbitals
C Liu, J Kloppenburg, Y Kanai, V Blum
APS March Meeting Abstracts 2017, K7. 013, 2017
2017
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