| Computational methods in heterogeneous catalysis BWJ Chen, L Xu, M Mavrikakis Chemical Reviews 121 (2), 1007-1048, 2020 | 350 | 2020 |
| Steam-created grain boundaries for methane C–H activation in palladium catalysts W Huang, AC Johnston-Peck, T Wolter, WCD Yang, L Xu, J Oh, ... Science 373 (6562), 1518-1523, 2021 | 153 | 2021 |
| Formation of active sites on transition metals through reaction-driven migration of surface atoms L Xu, KG Papanikolaou, BAJ Lechner, L Je, GA Somorjai, M Salmeron, ... Science 380 (6640), 70-76, 2023 | 114 | 2023 |
| Kinetically Controlled Synthesis of Pd–Cu Janus Nanocrystals with Enriched Surface Structures and Enhanced Catalytic Activities toward CO2 Reduction Z Lyu, S Zhu, L Xu, Z Chen, Y Zhang, M Xie, T Li, S Zhou, J Liu, M Chi, ... Journal of the American Chemical Society 143 (1), 149-162, 2020 | 106 | 2020 |
| Atomic and molecular adsorption on Cu (111) L Xu, J Lin, Y Bai, M Mavrikakis Topics in Catalysis 61, 736-750, 2018 | 79 | 2018 |
| Synthesis of Ru icosahedral nanocages with a face-centered-cubic structure and evaluation of their catalytic properties M Zhao, L Xu, M Vara, AO Elnabawy, KD Gilroy, ZD Hood, S Zhou, ... ACS Catalysis 8 (8), 6948-6960, 2018 | 78 | 2018 |
| Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening L Xu, EE Stangland, M Mavrikakis Journal of Catalysis 362, 18-24, 2018 | 65 | 2018 |
| Atomic and molecular adsorption on Fe (110) L Xu, D Kirvassilis, Y Bai, M Mavrikakis Surface Science 667, 54-65, 2018 | 65 | 2018 |
| Atomic and molecular adsorption on Ni (111) Y Bai, D Kirvassilis, L Xu, M Mavrikakis Surface Science 679, 240-253, 2019 | 61 | 2019 |
| Facile synthesis of Ru-based octahedral nanocages with ultrathin walls in a face-centered cubic structure M Zhao, AO Elnabawy, M Vara, L Xu, ZD Hood, X Yang, KD Gilroy, ... Chemistry of Materials 29 (21), 9227-9237, 2017 | 56 | 2017 |
| Ethylene Dimerization and Oligomerization to 1-Butene and Higher Olefins with Chromium-Promoted Cobalt on Carbon Catalyst Z Xu, JP Chada, L Xu, D Zhao, DC Rosenfeld, JL Rogers, I Hermans, ... ACS Catalysis 8 (3), 2488-2497, 2018 | 48 | 2018 |
| Janus nanocages of platinum‐group metals and their use as effective dual‐electrocatalysts J Zhu, L Xu, Z Lyu, M Xie, R Chen, W Jin, M Mavrikakis, Y Xia Angewandte Chemie International Edition 60 (18), 10384-10392, 2021 | 43 | 2021 |
| Facile Synthesis of Palladium‐Based Nanocrystals with Different Crystal Phases and a Comparison of Their Catalytic Properties A Janssen, V Pawlik, AD von Rueden, L Xu, C Wang, M Mavrikakis, Y Xia Advanced Materials 33 (49), 2103801, 2021 | 28 | 2021 |
| Chloroform hydrodechlorination on palladium surfaces: a comparative DFT study on Pd (111), Pd (100), and Pd (211) L Xu, S Bhandari, J Chen, J Glasgow, M Mavrikakis Topics in Catalysis 63, 762-776, 2020 | 27 | 2020 |
| A DFT study of chlorine coverage over late transition metals and its implication on 1, 2-dichloroethane hydrodechlorination L Xu, EE Stangland, M Mavrikakis Catalysis Science & Technology 8 (6), 1555-1563, 2018 | 24 | 2018 |
| Hydrodechlorination of 1, 2-dichloroethane on platinum catalysts: insights from reaction kinetics experiments, density functional theory, and microkinetic modeling L Xu, EE Stangland, JA Dumesic, M Mavrikakis ACS Catalysis 11 (13), 7890-7905, 2021 | 22 | 2021 |
| Chloroform hydrodechlorination over palladium–gold catalysts: A first‐principles DFT study L Xu, X Yao, A Khan, M Mavrikakis ChemCatChem 8 (9), 1739-1746, 2016 | 19 | 2016 |
| The role of iron-oxide aerosols and sunlight in the atmospheric reduction of Hg (II) species: A DFT+ U study SA Tacey, T Szilvási, L Xu, JJ Schauer, M Mavrikakis Applied Catalysis B: Environmental 234, 347-356, 2018 | 14 | 2018 |
| Heterogeneous reduction pathways for Hg (II) species on dry aerosols: a first-principles computational study SA Tacey, L Xu, M Mavrikakis, JJ Schauer The Journal of Physical Chemistry A 120 (13), 2106-2113, 2016 | 13 | 2016 |
| Quantum chemical calculations to determine partitioning coefficients for HgCl2 on iron-oxide aerosols SA Tacey, L Xu, T Szilvási, JJ Schauer, M Mavrikakis Science of the Total Environment 636, 580-587, 2018 | 12 | 2018 |
