| Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and … CJ Bodenschatz, S Sarupria, RB Getman The Journal of Physical Chemistry C 119 (24), 13642-13651, 2015 | 53 | 2015 |
| 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 | 35 | 2019 |
| Dual-site catalysts featuring platinum-group-metal atoms on copper shapes boost hydrocarbon formations in electrocatalytic CO2 reduction M Chhetri, M Wan, Z Jin, J Yeager, C Sandor, C Rapp, H Wang, S Lee, ... Nature Communications 14 (1), 3075, 2023 | 19 | 2023 |
| 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 | 16 | 2019 |
| 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 JoVE (Journal of Visualized Experiments), e59284, 2019 | 10 | 2019 |
| Thermodynamics of the Lu2O3–SiO2 system and comparison to other rare earth silicates BA Kowalski, NS Jacobson, C Bodenschatz, G Costa The Journal of Chemical Thermodynamics 161, 106483, 2021 | 7 | 2021 |
| Thermodynamics of high‐temperature aluminum, zirconium, and yttrium hydroxide and oxyhydroxide vapor species CW Bauschlicher Jr, CJ Bodenschatz, DL Myers, NS Jacobson Journal of the American Ceramic Society 103 (10), 5870-5880, 2020 | 6 | 2020 |
| Correction to “Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional … CJ Bodenschatz, S Sarupria, RB Getman The Journal of Physical Chemistry C 120 (1), 801-801, 2016 | 4 | 2016 |
| Influence of cation species on thermal expansion of Y2Si2O7–Gd2Si2O7 solid solutions JL Stokes, CJ Bodenschatz, BJ Harder, VL Wiesner, WA Saidi, DE Wolfe Journal of Solid State Chemistry 327, 124229, 2023 | 2 | 2023 |
| A Combined Molecular Dynamics and Density Functional Theory Approach for Generating Liquid Water Configurations for Aqueous-Phase Heterogeneous Catalysis Studies CJ Bodenschatz Clemson University, 2019 | 2 | 2019 |
| Theoretical Prediction of Thermal Expansion Anisotropy for Y2Si2O7 Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to … CJ Bodenschatz, WA Saidi, JL Stokes, RI Webster, G Costa Materials 17 (2), 286, 2024 | 1 | 2024 |
| Advancing Development of Environmental Barrier Coatings Resistant to Attack by Molten Calcium-Magnesium-Aluminosilicate (CMAS) VL Wiesner, JL Stokes, NP Bansal, G Costa, MJ Presby, CJ Bodenschatz, ... International Conference on Advanced Ceramics and Composites, 2020 | 1 | 2020 |
| 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 Approaches for Rare-Earth Silicate Environmental Barrier Coating Thermochemical and Thermomechanical Property Predictions CJ Bodenschatz, WA Saidi, JL Stokes XVIII Conference & Exhibition of the European Ceramic Society, 2023 | | 2023 |
| An Ensemble Neural Network Model for Predicting Rare-Earth Oxide and Silicate Heat Capacities at High Temperature CJ Bodenschatz | | 2023 |
| Expanding Single-Atom Alloy Concept to Electrocatalysis: PGM Unexpectedly Facilitates Copper for Hydrocarbon Formations through CO2 Reduction Z Jin, M Chhetri, J Yeager, C Sandor, H Wang, S Lee, C Bodenschatz, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
| A Machine Learning-Derived Atomistic Potential for Y2Si2O7 CJ Bodenschatz, WA Saidi, JL Stokes Materials Science & Technology 2022 (MS&T22), 2022 | | 2022 |
| Insight of Roles of Water in Aqueous Phase Catalysis Via DFT and Microkinetic Modeling T Xie, C Bodenschatz, R Getman 2019 North American Catalysis Society Meeting, 2019 | | 2019 |
| Supporting information of Insights into the Roles of Water on the Aqueous Phase Reforming of Glycerol T Xie, CJ Bodenschatz, RB Getman | | 2018 |
| Molecular-level insights into how the structure of liquid water influences the mechanism of sugar alcohol decomposition in aqueous phase heterogeneous catalysis C Bodenschatz, T Xie, R Getman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Tianjun XieNorth Carolina A&T State UniversityVerified email at ncat.edu
