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Yinan Xu
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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
322021
Deep reaction network exploration at a heterogeneous catalytic interface
Q Zhao, Y Xu, J Greeley, BM Savoie
Nature communications 13 (1), 1-9, 2022
202022
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
72022
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
52024
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
52023
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
42022
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
22023
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
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Articles 1–16