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
324 2017 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
244 2018 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
186 2021 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
57 2020 Sr3 CrN3 : 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
51 2019 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
19 2023 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
6 2022 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
1 2019 Atomistic understanding of hydrogen coverage on RuO2 (110) surface under electrochemical conditions from ab initio statistical thermodynamics L Zhang, J Kloppenburg, CY Lin, L Mitrovic, S Gelin, I Dabo, DG Schlom, ...
arXiv preprint arXiv:2410.18421, 2024
2024 Enhanced Oxygen Evolution Kinetics through Cooperative Interaction on Ti-Substituted IrO2 (110) G Hautier, DY Kuo, J Nelson, J Kloppenburg, EJ Crumlin, K Shen, ...
PRiME 2024 (October 6-11, 2024), 2024
2024 Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters J Kang, J Kloppenburg, J Sheng, Z Xu, K Meinander, H Jiang, ZP Lv, ...
arXiv preprint arXiv:2406.08580, 2024
2024 Improved ab-initio research of hydrogen coverage on ruthenium oxide and iridium oxide J Kloppenburg
UCL-Université Catholique de Louvain, 2023
2023 The (3 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 
Darrell G. SchlomCornell UniversityAdresse e-mail validée de cornell.edu
