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Kaining Duanmu
Kaining Duanmu
Verified email at tongji.edu.cn
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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
4462019
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
872018
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
622019
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
502020
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
422017
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
392016
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
382015
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
302020
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
282016
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
282015
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
242021
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
212016
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
212015
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
192021
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
162019
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
102021
Partial ionic character beyond the Pauling paradigm: Metal nanoparticles
K Duanmu, DG Truhlar
The Journal of Physical Chemistry C 118 (48), 28069-28074, 2014
92014
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
72021
Tuning reactivity layer-by-layer: formic acid activation on Ag/Pd (111)
M Karatok, K Duanmu, CR O'Connor, JA Boscoboinik, P Sautet, RJ Madix, ...
Chemical science 11 (25), 6492-6499, 2020
72020
CM5PAC version 2015
K Duanmu, B Wang, AV Marenich, CJ Cramer, DG Truhlar
University of Minnesota: Minneapolis, MN, 2015
72015
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