| Single-atom tailoring of platinum nanocatalysts for high-performance multifunctional electrocatalysis M Li, K Duanmu, C Wan, T Cheng, L Zhang, S Dai, W Chen, Z Zhao, P Li, ... Nature Catalysis 2 (6), 495-503, 2019 | 492 | 2019 |
| Dynamics of Surface Alloys: Rearrangement of Pd/Ag(111) Induced by CO and O2 MA van Spronsen, K Daunmu, CR O’Connor, T Egle, H Kersell, ... The Journal of Physical Chemistry C 123 (13), 8312-8323, 2018 | 91 | 2018 |
| Achieving high selectivity for alkyne hydrogenation at high conversions with compositionally optimized PdAu nanoparticle catalysts in raspberry colloid-templated SiO2 M Luneau, T Shirman, AC Foucher, K Duanmu, DMA Verbart, P Sautet, ... ACS Catalysis 10 (1), 441-450, 2019 | 69 | 2019 |
| Evolution of metastable structures at bimetallic surfaces from microscopy and machine-learning molecular dynamics JS Lim, J Vandermause, MA Van Spronsen, A Musaelian, Y Xie, L Sun, ... Journal of the American Chemical Society 142 (37), 15907-15916, 2020 | 60 | 2020 |
| Validation of density functionals for adsorption energies on transition metal surfaces K Duanmu, DG Truhlar Journal of chemical theory and computation 13 (2), 835-842, 2017 | 44 | 2017 |
| Validation of methods for computational catalyst design: Geometries, structures, and energies of neutral and charged silver clusters K Duanmu, DG Truhlar The Journal of Physical Chemistry C 119 (17), 9617-9626, 2015 | 42 | 2015 |
| Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0, ± 1, n = 1–7 K Duanmu, O Roberto-Neto, FBC Machado, JA Hansen, J Shen, ... The Journal of Physical Chemistry C 120 (24), 13275-13286, 2016 | 41 | 2016 |
| Mechanistic and electronic insights into a working NiAu single-atom alloy ethanol dehydrogenation catalyst G Giannakakis, P Kress, K Duanmu, HT Ngan, G Yan, AS Hoffman, Z Qi, ... Journal of the American Chemical Society 143 (51), 21567-21579, 2021 | 31 | 2021 |
| Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface CR O’Connor, K Duanmu, DA Patel, E Muramoto, MA van Spronsen, ... Proceedings of the National Academy of Sciences 117 (37), 22657-22664, 2020 | 30 | 2020 |
| Size-Dependent Ligand Quenching of Ferromagnetism in Co3(benzene) n + Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy ST Akin, V Zamudio-Bayer, K Duanmu, G Leistner, K Hirsch, C Bülow, ... The journal of physical chemistry letters 7 (22), 4568-4575, 2016 | 28 | 2016 |
| Density functional theory of the water splitting reaction on Fe (0): Comparison of local and nonlocal correlation functionals JL Bao, HS Yu, K Duanmu, MA Makeev, X Xu, DG Truhlar ACS Catalysis 5 (4), 2070-2080, 2015 | 28 | 2015 |
| Decomposition pathways and mitigation strategies for highly-stable hydroxyphenazine flow battery anolytes NPN Wellala, A Hollas, K Duanmu, V Murugesan, X Zhang, R Feng, ... Journal of Materials Chemistry A 9 (38), 21918-21928, 2021 | 24 | 2021 |
| Thermodynamics of metal nanoparticles: Energies and enthalpies of formation of magnesium clusters and nanoparticles as large as 1.3 nm K Duanmu, J Friedrich, DG Truhlar The Journal of Physical Chemistry C 120 (45), 26110-26118, 2016 | 22 | 2016 |
| Atomic oxygen recombination at surface defects on reconstructed (0001) α-quartz exposed to atomic and molecular oxygen R Meana-Paneda, Y Paukku, K Duanmu, P Norman, TE Schwartzentruber, ... The Journal of Physical Chemistry C 119 (17), 9287-9301, 2015 | 21 | 2015 |
| Automated detection and characterization of surface restructuring events in bimetallic catalysts JS Lim, N Molinari, K Duanmu, P Sautet, B Kozinsky The Journal of Physical Chemistry C 123 (26), 16332-16344, 2019 | 15 | 2019 |
| Long-term structural and chemical stability of carbon electrodes in vanadium redox flow battery BM Sivakumar, V Prabhakaran, K Duanmu, E Thomsen, B Berland, ... ACS Applied Energy Materials 4 (6), 6074-6081, 2021 | 12 | 2021 |
| Quadruple‐Bidentate Nitrate‐Ligated A2Hg(NO3)4 (A=K, Rb): Strong Second‐Harmonic Generation and Sufficient Birefringence L Qi, X Jiang, K Duanmu, C Wu, Z Lin, Z Huang, MG Humphrey, C Zhang Angewandte Chemie International Edition 62 (39), e202309365, 2023 | 9 | 2023 |
| Partial ionic character beyond the Pauling paradigm: Metal nanoparticles K Duanmu, DG Truhlar The Journal of Physical Chemistry C 118 (48), 28069-28074, 2014 | 9 | 2014 |
| Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride C Jin, X Jiang, C Wu, K Duanmu, Z Lin, Z Huang, MG Humphrey, C Zhang Angewandte Chemie 135 (42), e202310835, 2023 | 8 | 2023 |
| Concentration-dependent solvation structure and dynamics of aqueous sulfuric acid using multinuclear NMR and DFT JD Bazak, AR Wong, K Duanmu, KS Han, D Reed, V Murugesan The Journal of Physical Chemistry B 125 (19), 5089-5099, 2021 | 8 | 2021 |
