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Publications

Publications by Yang Shao-horn. Show all publications

S. Kwon, K. A. Stoerzinger, R. Rao, L. Qiao, W. A. Goddard, and Y. Shao-Horn
Facet-Dependent Oxygen Evolution Reaction Activity of IrO2 from Quantum Mechanics and Experiments
Journal of the American Chemical Society 146 11719-11725 (2024)
10.1021/jacs.3c14271
D. H. Chung, E. J. Graham, B. A. Paren, L. Schofield, Y. Shao-Horn, and D. S. Mallapragada
Design Space for PEM Electrolysis for Cost-Effective H2 Production Using Grid Electricity
Industrial & Engineering Chemistry Research (2024)
10.1021/acs.iecr.4c00123
E. Crabb, A. Aggarwal, R. Stephens, Y. Shao-Horn, G. Leverick, and J. C. Grossman
Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics
The Journal of Physical Chemistry B 128 3427-3441 (2024)
10.1021/acs.jpcb.3c07999
J. J. Velasco Vélez, D. Bernsmeier, R. V. Mom, P. Zeller, Y. Shao‐Horn, B. Roldan Cuenya, A. Knop‐Gericke, R. Schlögl, and T. E. Jones
Iridium Oxide Coordinatively Unsaturated Active Sites Govern the Electrocatalytic Oxidation of Water
Advanced Energy Materials 14 (2024)
10.1002/aenm.202303407
Y. Chen, D. J. Zheng, Z. J. Xu, and Y. Shao-Horn
Best practices for oxygen electrocatalysis
Nature Sustainability 7 371-374 (2024)
10.1038/s41893-024-01285-y
R. Liu, G. He, X. Wang, D. Mallapragada, H. Zhao, Y. Shao-Horn, and B. Jiang
A cross-scale framework for evaluating flexibility values of battery and fuel cell electric vehicles
Nature Communications 15 (2024)
10.1038/s41467-023-43884-x
D. Vivona, K. Gordiz, R. Meyer, S. Raman, and Y. Shao-Horn
Mechanistic insights into the origin of the oxygen migration barrier
Journal of Materials Chemistry A 12 22737-22755 (2024)
10.1039/d4ta04049j
D. J. Zheng, J. Peng, K. McCormack, H. Xu, J. S. Kang, Z. Wang, Z. Ren, J. Li, Y. Román-Leshkov, and Y. Shao-Horn
Uniting activity design principles of anode catalysts for direct liquid fuel cells
EES Catalysis 2 1186-1209 (2024)
10.1039/d4ey00100a
L. J. Kilgallon, Y. Shao-Horn, and J. A. Johnson
Safe and Scalable Syntheses of N,N-Dimethyltrifluoromethanesulfonamide (DMTMSA) and Other Trifluoromethanesulfonamide Solvents for High Energy Density Battery Applications
The Journal of Organic Chemistry 88 16644-16648 (2023)
10.1021/acs.joc.3c01745
S. Gong, K. Yan, T. Xie, Y. Shao-Horn, R. Gomez-Bombarelli, S. Ji, and J. C. Grossman
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity
Science Advances 9 (2023)
10.1126/sciadv.adi3245
Department of Energy
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the Department of Energy.