Publications

Journal Articles

2025

ACS Catalysis 15(11), 9928–9939 Catalysis ML

Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters

J. Kang, J. Kloppenburg, et al.

DOI: 10.1021/acscatal.4c07859 6 citations

J. Phys. Chem. C 129(8), 4043–4051 Surface Science Stat. Mech.

Atomistic Understanding of Hydrogen Coverage on RuO₂(110) Surface under Electrochemical Conditions from Ab Initio Statistical Thermodynamics

L. Zhang, J. Kloppenburg, C.-Y. Lin, L. Mitrovic, S. Gelin, I. Dabo, D. Schlom, J. Suntivich, G. Hautier

DOI: 10.1021/acs.jpcc.4c07229 4 citations

2023

J. Chem. Phys. 158, 134704 ML Potential Nanoparticles

A General-Purpose Machine Learning Pt Interatomic Potential for an Accurate Description of Bulk, Surfaces, and Nanoparticles

J. Kloppenburg, H. Jónsson, M. A. Caro, L. Bartók-Pártay

DOI: 10.1063/5.0143891 31 citations

2022

Nanoscale 14, 9053–9060 Nanoclusters ML Potential

Reassignment of Magic Numbers for Icosahedral Au Clusters: 310, 564, 928 and 1426

J. Kloppenburg, A. Pedersen, K. Laasonen, M. A. Caro, H. Jónsson

DOI: 10.1039/D2NR01763F 8 citations

2021

Science Advances 7(2), eabc7323 Surface Science OER

Amorphization Mechanism of SrIrO₃ Electrocatalyst: How Nanoscale Chemistry Controls Oxygen Evolution Activity

G. Wan, J. W. Freeland, J. Kloppenburg, et al.

DOI: 10.1126/sciadv.abc7323 228 citations

2020

J. Chem. Phys. 152(4) Many-Body Theory

All-Electron Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules

C. Liu, J. Kloppenburg, et al.

J. Chem. Phys. 152(4), 2020 70 citations

2019

J. Am. Chem. Soc. 141(27), 10595–10598 Electronic Structure

Sr₃CrN₃: A New Electride with Partially Filled d-Shell

P. Chanhom, et al.

DOI: 10.1021/jacs.9b03472 63 citations

arXiv preprint arXiv:1910.09608 Surface Science

The (3√3)-SiC Reconstruction

J. Kloppenburg, et al.

arXiv:1910.09608

2018

J. Am. Chem. Soc. 140(50), 17597–17605 Surface Science OER

Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO₂(110): Evidence for Nonactivated Transformation of Chemisorbed Oxygen

D. Y. Kuo, J. Kloppenburg, et al.

DOI: 10.1021/jacs.8b10521 301 citations

2017

J. Am. Chem. Soc. 139(9), 3473–3479 Surface Science OER

Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO₂(110)

D. Y. Kuo, J. Kloppenburg, et al.

DOI: 10.1021/jacs.6b11932 377 citations

Talks & Conferences

2024

PRiME 2024 October 6–11, Honolulu OER Surface Science

Enhanced Oxygen Evolution Kinetics through Cooperative Interaction on Ti-Substituted IrO₂(110)

G. Hautier, D. Y. Kuo, J. Kloppenburg, et al.

PhD Thesis

2023

UCL — Université Catholique de Louvain Surface Science Stat. Mech.

Improved Ab Initio Research of Hydrogen Coverage on Ruthenium Oxide and Iridium Oxide

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