YS
Yang Shao-Horn
cond-mat.mtrl-sciphysics.chem-phthin filmsalkalinecs.LGelectrocatalysisElectrochemistryoxygen evolution reactionwater splittingcs.AI
On Valency
published · living versionsW_fbt2d27a·v1 · currentpublished
An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates
with Yu Katayama, Francesco Nattino, Livia Giordano, Jonathan Hwang +3
1 version
Preprints & journals
177 papers in the corpus · 2003–2026Synthesis of Ladder and Flexible Polysulfonimides Directly From Anionic Monomers: Investigating Structure-Property Convergence in Succinonitrile-Polymer Electrolyte Blends.42799641 · Herzog-Arbeitman, Abraham, Leon, Pablo, Schreib, Benedikt S et al.2026 · 0 citationsAngewandte Chemie (International ed. in English). 2026:e8257644
Near-Unity Sodium Metal Cycling without an Anion-Rich Interphase10.26434/chemrxiv.15006423/v1 · Sean A. Fernandez, Louis Ah, Dan-Thien Nguyen et al.2026 · 0 citationsChemRxiv
From Cation Solvation to Anion Coordination: Lewis-Acidic Boranes Enable Halide Salt Electrolytes.42389920 · Cawthern, Sawyer D, Svirinovsky-Arbeli, Asya, Hill, Megan R et al.2026 · 0 citationsThe journal of physical chemistry. B. 2026;130(28):7172-7179
Increasingly Reversible Na/Cl2 and Li/Cl2 Batteries.42219704 · Zhu, Guanzhou, Xu, Hongbin, Wang, Shuo et al.2026 · 3 citationsJournal of the American Chemical Society. 2026;148(22):22673-22686
Correlated terahertz phonon-ion interactions control ion conduction in a solid electrolyte.41603889 · Pham, Kim H, Gordiz, Kiarash, Spear, Natan A et al.2026 · 6 citationsMaterials horizons. 2026;13(7):3355-3375
Nanoengineering of non-aqueous liquid electrolyte solutions for future lithium metal batteries.41708987 · Weintz, Dominik, Werres, Martin, Horstmann, Birger et al.2026 · 17 citationsNature nanotechnology. 2026;21(3):336-351
Lattice Oxygen Exchange Pathways in Nickel-Iron Metal-Organic Framework-Based Oxygen Evolution Electrocatalysts.41459595 · Zheng, Daniel J, McCormack, Kaylee, Peng, Jiayu et al.2026 · 1 citationACS applied materials & interfaces. 2026;18(1):1062-1076
Determination of the Exchange Current Density at Lithium │ Polymer Electrolyte Interfaces.41309517 · Geng, Katrin, Tappan, Bryce A, Passerini, Stefano et al.2025 · 14 citationsAdvanced science (Weinheim, Baden-Wurttemberg, Germany). 2025:e14492
Mechanistic Decomposition of Ion Transport in Amorphous Polymer Electrolytes via Molecular Dynamics.41269126 · Leon, Pablo A, Jun, KyuJung, Gordiz, Kiarash et al.2025 · 3 citationsThe journal of physical chemistry letters. 2025;16(48):12419-12427
Lithium-ion intercalation by coupled ion-electron transfer.41037604 · Zhang, Yirui, Fraggedakis, Dimitrios, Gao, Tao et al.2025 · 79 citationsScience (New York, N.Y.). 2025;390(6768):eadq2541
A multimodal robotic platform for multi-element electrocatalyst discovery.40987343 · Zhang, Zhen, Ren, Zhichu, Hsu, Chia-Wei et al.2025 · 73 citationsNature. 2025;647(8089):390-396
Electrochemical CO2 Conversion toward Sustainable Methanol Production: Experimental Considerations and Outlook.40954965 · Yu, Sunmoon, Menga, Davide, Morankar, Ankita et al.2025 · 33 citationsJournal of the American Chemical Society. 2025;147(38):34183-34198
Stable Metal-Organic Electrocatalysts for Anion-Exchange Membrane Water Electrolyzers by Defect Engineering.40785199 · Xu, Hongbin, Zheng, Daniel J, Wang, Shuo et al.2025 · 45 citationsJournal of the American Chemical Society. 2025;147(33):29838-29851
Oxygen Migration Pathways in the Methanol Oxidation Reaction10.26434/chemrxiv-2025-mhf4p · Fanxu Meng, Zihan Shen, Daniel J. Zheng et al.2025 · 2 citationsChemRxiv
Harnessing interfacial hydrogen bonds to modulate hydrogen evolution and oxidation reaction kinetics10.26434/chemrxiv-2025-q69lz · Yirui Zhang, Daniel J. Zheng, Abhishek Aggarwal et al.2025 · 0 citationsChemRxiv
Unveiling Solid Electrolyte Interphase Dynamics in Electrochemical Lithium-Mediated Ammonia Synthesis via Operando Raman Spectroscopy10.26434/chemrxiv-2025-m2jf3 · Antonia Herzog, Haldrian Iriawan, Yang Shao-Horn2025 · 7 citationsChemRxiv
Autonomous Discovery of Polymer Electrolyte Formulations with Warm-start Batch Bayesian Optimization10.26434/chemrxiv-2025-2cjbg · Jurgis Ruza, Michael Stolberg, Sawyer Cawthern et al.2025 · 14 citationsChemRxiv
Concentration-Dependent Thermodynamics and Kinetics in Lithium-Metal Battery Electrolytes: Implications for Coulombic Efficiency10.26434/chemrxiv-2025-chqx3 · Christian O. Plaza-Rivera, Daniel Wang, Jason K. Phong et al.2025 · 9 citationsChemRxiv
Reactivating Molecular Cobalt Catalysts for Electrochemical CO2 Conversion to Methanol.40156567 · Yu, Sunmoon, Yamauchi, Hiroki, Menga, Davide et al.2025 · 41 citationsJournal of the American Chemical Society. 2025;147(14):12298-12307
Electrolyte effects in proton-electron transfer reactions and implications for renewable fuels and chemicals synthesis10.26434/chemrxiv-2025-g7f6v-v3 · Paula Sebastián-Pascual, Antonia Herzog, Yirui Zhang et al.2025 · 73 citationsChemRxiv
Investigation of Charge Transfer Kinetics in Multilayer PEO/LLZO Solid-State Batteries.40091175 · Tappan, Bryce A, Geng, Katrin, Vivona, Daniele et al.2025 · 15 citationsACS applied materials & interfaces. 2025;17(12):18255-18267
Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes10.26434/chemrxiv-2025-q4822-v2 · Jurgis Ruza, Pablo Leon, KyuJung Jun et al.2025 · 0 citationsChemRxiv
Confined Water for Catalysis: Thermodynamic Properties and Reaction Kinetics.39902648 · Wang, Tao, Iriawan, Haldrian, Peng, Jiayu et al.2025 · 94 citationsChemical reviews. 2025;125(3):1420-1467
A Data-Driven Platform for Automated Characterization of Polymer Electrolytes10.26434/chemrxiv-2024-gpmm7 · Michael A. Stolberg, Jeffrey Lopez, Sawyer Cawthern et al.2024 · 21 citationsChemRxiv
Revealing the Interplay of Local Environments and Ionic Transport in Perovskite Solid Electrolytes.39486027 · Kim, Junghwa, Gordiz, Kiarash, Vivona, Daniele et al.2024 · 9 citationsACS nano. 2024;18(45):31234-31243
Effect of ion-specific water structures at metal surfaces on hydrogen production.39244565 · Tian, Ye, Huang, Botao, Song, Yizhi et al.2026 · 126 citationsNature communications. 2024;15(1):7834
Electrocatalysts for Inorganic and Organic Waste Nitrogen Conversion.38988657 · Chipoco Haro, Danae A, Barrera, Luisa, Iriawan, Haldrian et al.2024 · 26 citationsACS catalysis. 2024;14(13):9752-9775
Revealing the Molecular Origin of Driving Forces and Thermodynamic Barriers for Li+ Ion Transport to Electrode-Electrolyte Interfaces10.26434/chemrxiv-2024-hn926 · Abhishek Aggarwal, Kiarash Gordiz, Artem Baskin et al.2024 · 12 citationsChemRxiv
Dynamic Optimization of Proton Exchange Membrane Water Electrolyzers Considering Usage-Based Degradation2405.06766v1 · Landon Schofield, Benjamin Paren, Ruaridh Macdonald et al.2024 · 56 citationsarXiv
Facet-Dependent Oxygen Evolution Reaction Activity of IrO2 from Quantum Mechanics and Experiments.38636103 · Kwon, Soonho, Stoerzinger, Kelsey A, Rao, Reshma et al.2024 · 70 citationsJournal of the American Chemical Society. 2024;146(17):11719-11725
Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics.38551621 · Crabb, Emily, Aggarwal, Abhishek, Stephens, Ryan et al.2024 · 32 citationsThe journal of physical chemistry. B. 2024;128(14):3427-3441
A cross-scale framework for evaluating flexibility values of battery and fuel cell electric vehicles.38177111 · Liu, Ruixue, He, Guannan, Wang, Xizhe et al.2024 · 63 citationsNature communications. 2024;15(1):280
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity.37948518 · Gong, Sheng, Yan, Keqiang, Xie, Tian et al.2026 · 105 citationsScience advances. 2023;9(45):eadi3245
Safe and Scalable Syntheses of N,N-Dimethyltrifluoromethanesulfonamide (DMTMSA) and Other Trifluoromethanesulfonamide Solvents for High Energy Density Battery Applications.37948744 · Kilgallon, Landon J, Shao-Horn, Yang, Johnson, Jeremiah A2023 · 6 citationsThe Journal of organic chemistry. 2023;88(23):16644-16648
Sequencing polymers to enable solid-state lithium batteries.37845320 · Han, Shantao, Wen, Peng, Wang, Huaijiao et al.2026 · 272 citationsNature materials. 2023;22(12):1515-1522
Decarbonization of aviation via hydrogen propulsion: technology performance targets and energy system impacts2309.14629v1 · Anna Cybulsky, Florian Allroggen, Yang Shao-Horn et al.2023 · 1 citationarXiv
Multimodal machine learning for materials science: composition-structure bimodal learning for experimentally measured properties2309.04478v1 · Sheng Gong, Shuo Wang, Taishan Zhu et al.2023 · 1 citationarXiv
Carbon-cement supercapacitors as a scalable bulk energy storage solution.37523534 · Chanut, Nicolas, Stefaniuk, Damian, Weaver, James C et al.2023 · 173 citationsProceedings of the National Academy of Sciences of the United States of America. 2023;120(32):e2304318120
Lamellar Ionenes with Highly Dissociative, Anionic Channels Provide Lower Barriers for Cation Transport.37459594 · Stolberg, Michael A, Paren, Benjamin A, Leon, Pablo A et al.2023 · 12 citationsJournal of the American Chemical Society. 2023;145(29):16200-16209
Influence of Sr-Site Deficiency, Ca/Ba/La Doping on the Exsolution of Ni from SrTiO3.37318138 · O'Leary, Willis, Giordano, Livia, Park, Jieun et al.2023 · 39 citationsJournal of the American Chemical Society. 2023;145(25):13768-13779
Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with machine learning2305.19930v1 · Jaclyn R. Lunger, Jessica Karaguesian, Hoje Chun et al.2023 · 1 citationarXiv
CO2-to-methanol electroconversion on a molecular cobalt catalyst facilitated by acidic cations10.26434/chemrxiv-2023-20v8p-v2 · Sunmoon Yu, Hiroki Yamauchi, Shuo Wang et al.2023 · 151 citationsChemRxiv
Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery.36844492 · Bradford, Gabriel, Lopez, Jeffrey, Ruza, Jurgis et al.2023 · 148 citationsACS central science. 2023;9(2):206-216
Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning.36186569 · Gong, Sheng, Wang, Shuo, Xie, Tian et al.2024 · 43 citationsJACS Au. 2022;2(9):1964-1977
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations2208.01692v1 · Tian Xie, Ha-Kyung Kwon, Daniel Schweigert et al.2022 · 1 citationarXiv
Surface Oxygen Vacancies Confined by Ferroelectric Polarization for Tunable CO Oxidation Kinetics.35580350 · Ren, Zhaohui, Ruan, Luoyuan, Yin, Lichang et al.2022 · 42 citationsAdvanced materials (Deerfield Beach, Fla.). 2022;34(30):e2202072
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties.35701416 · Xie, Tian, France-Lanord, Arthur, Wang, Yanming et al.2022 · 82 citationsNature communications. 2022;13(1):3415
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments.35575644 · Chatenet, Marian, Pollet, Bruno G, Dekel, Dario R et al.2022 · 2,009 citationsChemical Society reviews. 2022;51(11):4583-4762
The low overpotential regime of acidic water oxidation part II: trends in metal and oxygen stability numbers.35706421 · Scott, Soren B, Sørensen, Jakob E, Rao, Reshma R et al.2024 · 89 citationsEnergy & environmental science. 2022;15(5):1988-2001
The low overpotential regime of acidic water oxidation part I: the importance of O2 detection.35706423 · Scott, Soren B, Rao, Reshma R, Moon, Choongman et al.2022 · 68 citationsEnergy & environmental science. 2022;15(5):1977-1987
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