| Polyethylene hydrogenolysis at mild conditions over ruthenium on tungstated zirconia C Wang, T Xie, PA Kots, BC Vance, K Yu, P Kumar, J Fu, S Liu, ... JACS Au 1 (9), 1422-1434, 2021 | 186 | 2021 |
| A general strategy and a consolidated mechanism for low-methane hydrogenolysis of polyethylene over ruthenium C Wang, K Yu, B Sheludko, T Xie, PA Kots, BC Vance, P Kumar, EA Stach, ... Applied Catalysis B: Environmental 319, 121899, 2022 | 60 | 2022 |
| Electronic modulation of metal-support interactions improves polypropylene hydrogenolysis over ruthenium catalysts PA Kots, T Xie, BC Vance, CM Quinn, MD de Mello, JA Boscoboinik, ... Nature Communications 13 (1), 5186, 2022 | 60 | 2022 |
| Insights into the roles of water on the aqueous phase reforming of glycerol T Xie, CJ Bodenschatz, RB Getman Reaction Chemistry & Engineering 4 (2), 383-392, 2019 | 41 | 2019 |
| A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different methods for calculating … T Xie, S Sarupria, RB Getman Molecular Simulation 43 (5-6), 370-378, 2017 | 32 | 2017 |
| Multiscale modeling of hydrogenolysis of ethane and propane on Ru (0001): Implications for plastics recycling T Xie, GR Wittreich, DG Vlachos Applied Catalysis B: Environmental 316, 121597, 2022 | 28 | 2022 |
| Insights into how the aqueous environment influences the kinetics and mechanisms of heterogeneously-catalyzed COH* and CH 3 OH* dehydrogenation reactions on Pt (111) CJ Bodenschatz, T Xie, X Zhang, RB Getman Physical Chemistry Chemical Physics 21 (19), 9895-9904, 2019 | 22 | 2019 |
| Identification of the Active Sites in the Dehydrogenation of Methanol on Pt/Al2O3 Catalysts T Xie, BJ Hare, PJ Meza-Morales, C Sievers, RB Getman The Journal of Physical Chemistry C 124 (35), 19015-19023, 2020 | 19 | 2020 |
| Active sites and effects of co-adsorbed H2O on isolated methanol dehydrogenation over Pt/γ-Al2O3 BJ Hare, RAG Carcamo, T Xie, PJ Meza-Morales, RB Getman, C Sievers Journal of Catalysis 402, 218-228, 2021 | 17 | 2021 |
| Multiscale sampling of a heterogeneous water/metal catalyst interface using density functional theory and force-field molecular dynamics CJ Bodenschatz, X Zhang, T Xie, J Arvay, S Sarupria, RB Getman Journal of Visualized Experiments, 2019 | 12 | 2019 |
| One-step synthesis of acid carbon and its catalytic activities for the oxathioacetalization X Liang, T Xie, C Qi Solid state sciences 12 (7), 1270-1273, 2010 | 7 | 2010 |
| Polyethylene Hydrogenolysis at Mild Conditions over Ruthenium on Tungstated Zirconia, JACS Au. 1 (2021) 1422–1434 C Wang, T Xie, PA Kots, BC Vance, K Yu, P Kumar, J Fu, S Liu, ... | 5 | |
| Predicting hydrogenolysis reaction barriers of large hydrocarbons on metal surfaces using machine learning: Implications for polymer deconstruction X Zong, T Xie, DG Vlachos Applied Catalysis B: Environment and Energy 353, 124070, 2024 | 2 | 2024 |
| Active sites and mechanism of aqueous phase methanol dehydrogenation on Pt/Al2O3 catalysts from multiscale modeling, microkinetic modeling, and operando spectroscopy RAG Cárcamo, T Xie, BJ Hare, C Sievers, RB Getman Journal of Catalysis 435, 115562, 2024 | 2 | 2024 |
| Multi-Scale Assessment of Binding Geometries and Energetics of Aqueous Phase Reforming of Glycerol and Methanol: Towards Realistic, Accurate, and Computationally Tractable … T Xie | 1 | 2019 |
| Molecular-level insights into the role of water on the chemistry of sugar alcohol decompositions revealed by multiscale modeling C Bodenschatz, X Zhang, T Xie, R Getman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | 1 | 2018 |
| Machine-Learning-Enabled Thermochemistry Estimator T Xie, GR Wittreich, MT Curnan, GH Gu, KN Seals, JS Tolbert Journal of Chemical Information and Modeling 65 (1), 214-222, 2024 | | 2024 |
| Demystify Chemical Reaction Mechanisms Using Machine-Learning Enabled Thermochemistry Estimator (METE) T Xie, G Wittreich, M Curnan, GH Gu, K Seals, J Tolbert 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Modeling of Hydrogenolysis of Light Alkanes on Ru T Xie, GR Wittreich, D Vlachos The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
| Mechanistic Study of Selective Hydrogenolysis of Polyethylene at Mild Conditions over Ruthenium Catalysts C Wang, T Xie, P Kots, B Vance, K Yu, P Kumar, J Fu, S Liu, EA Stach, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
Rachel B. GetmanChemical and Biomolecular Engineering, The Ohio State UniversityVerified email at osu.edu