| Carbon vacancy-assisted stabilization of individual Cu 5 clusters on graphene. Insights from ab initio molecular dynamics LL Carroll, LV Moskaleva, MP de Lara-Castells Physical Chemistry Chemical Physics 25 (23), 15729-15743, 2023 | 8 | 2023 |
| Catalytic activity of 1D chains of gold oxide on a stepped gold surface from density functional theory S Li, O Olaniyan, LL Carroll, M Bäumer, LV Moskaleva Physical Chemistry Chemical Physics 24 (47), 28853-28863, 2022 | 4 | 2022 |
| Partial Oxidation of Methanol on Gold: How Selectivity Is Steered by Low-Coordinated Sites S Eltayeb, LL Carroll, L Dippel, M Mostaghimi, W Riedel, LV Moskaleva, ... ACS catalysis 14 (10), 7901-7906, 2024 | 3 | 2024 |
| Selective Oxidation of Methanol to Methyl Formate on Gold: The Role of Low-Coordinated Sites Revealed by Isothermal Pulsed Molecular Beam Experiments and AIMD Simulations S Eltayeb, LL Carroll, L Dippel, M Mostaghimi, W Riedel, LV Moskaleva, ... The Journal of Physical Chemistry C 128 (36), 14978-14988, 2024 | 2 | 2024 |
| Functionalization of zeolite-encapsulated Cu5 clusters as visible-light photoactive sub-nanomaterials KM Krupka, LL Carroll, MP de Lara-Castells RSC Advances 15 (3), 2086-2098, 2025 | | 2025 |
| Unraveling the Role of Water in Isothermal Methanol Partial Oxidation to Methyl Formate on Gold: A Combined Experimental and Computational Study S Eltayeb, LL Carroll, JM Correa-Hoyos, CD Feldt, B Switon, W Riedel, ... The Journal of Physical Chemistry C, 2025 | | 2025 |
| Investigating the Interaction of Chitin in Organic Electrolyte Solutions Using Molecular Dynamics LL Carroll | | 2019 |
