Olefin oligomerization by main group Ga3+ and Zn2+ single site catalysts on SiO2 NJ LiBretto, Y Xu, A Quigley, E Edwards, R Nargund, JC Vega-Vila, ... Nature communications 12 (1), 1-9, 2021 | 32 | 2021 |
Deep reaction network exploration at a heterogeneous catalytic interface Q Zhao, Y Xu, J Greeley, BM Savoie Nature communications 13 (1), 1-9, 2022 | 20 | 2022 |
First-Principles Analysis of Ethylene Oligomerization on Single-Site Ga3+ Catalysts Supported on Amorphous Silica Y Xu, NJ LiBretto, G Zhang, JT Miller, J Greeley ACS Catalysis 12 (9), 5416-5424, 2022 | 7 | 2022 |
PySAGES: Flexible, advanced sampling methods accelerated with GPUs PF Zubieta Rico, L Schneider, GR Pérez-Lemus, R Alessandri, S Dasetty, ... npj Computational Materials 10 (1), 35, 2024 | 5 | 2024 |
Understanding polymer-porous solid interactions based on small gas molecule adsorption behavior T Ren, CY Wang, R Huang, C Deng, Y Xu, A Majumder, J Ra, K Shen, ... Chemical Engineering Journal, 145220, 2023 | 5 | 2023 |
Semi-hydrogenation of α, β-unsaturated aldehydes over sandwich-structured nanocatalysts prepared by phase transformation of thin-film Al 2 O 3 to Al-TCPP B Chen, X Yang, Y Xu, S Hu, X Zeng, Y Liu, KB Tan, J Huang, G Zhan Nanoscale 14 (42), 15749-15759, 2022 | 4 | 2022 |
Water promoting effect in CO oxidation over N-doped Co3O4/Pt nanocatalysts by tailoring metal-support interfaces Z Huang, S Hu, Y Xu, J He, D Cai, K Sun, J Jiang, G Zhan Chem Catalysis, 2023 | 2 | 2023 |
PySAGES: Flexible, advanced sampling methods accelerated with GPUs PFZ Rico, L Schneider, G Perez-Lemus, R Alessandri, S Dasetty, ... arXiv preprint arXiv:2301.04835, 2023 | | 2023 |
Rationalizing Olefin Oligomerization on Single Site Ga3+ Catalysts on Amorphous Silica: A First Principles Study Combined with Experiments and Automated … Y Xu, NA LiBretto, Q Zhao, B Savoie, JT Miller, J Greeley The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
First Principles Analysis of Oxidative Dehydrogenation of Ethane on Iron Sulfide Catalysts Using Sulfur As a Soft Oxidant A Biswas, Y Xu, X Zhang, A Arinaga, TJ Marks, J Greeley The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
Applying Automated Reaction Prediction to Heterogeneous Catalysis Problems Q Zhao, Y Xu, J Greeley, B Savoie 2021 AIChE Annual Meeting, 2021 | | 2021 |
Rationalizing Ethylene Oligomerization on Single Site Ga3+ Catalysts on Amorphous Silica: A First Principles Study Combined with Microkinetic Modeling and … Y Xu, N LiBretto, JT Miller, J Greeley 2021 AIChE Annual Meeting, 2021 | | 2021 |
First Principles Analysis of Selectivity and Durability of Pt-Based Bimetallic Alloys for Light Alkane Dehydrogenation Y Xu, RR Seemakurthi, Z Wu, JT Miller, J Greeley 2021 AIChE Annual Meeting, 2021 | | 2021 |
High Throughput Screening of Alloy Structures for Propane Dehydrogenation Reaction RR Seemakurthi, S Deshpande, Y Xu, FH Ribeiro, JT Miller, J Greeley 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
First Principles Analysis of Selectivity and Durability of Pt-Based Alloys for Light Alkane Dehydrogenation Y Xu, RR Seemakurthi, Z Wu, JT Miller, J Greeley 2019 AIChE Annual Meeting, 2019 | | 2019 |
Propane dehydrogenation on bimetallic alloys: selectivity descriptors and deactivation modes R Seemakurthi, Y Xu, B Bukowski, YH Lee, E Wegener, Z Wu, J Miller, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |