| Role of dihydride and dihydrogen complexes in hydrogen evolution reaction on single-atom catalysts G Di Liberto, LA Cipriano, G Pacchioni Journal of the American Chemical Society 143 (48), 20431-20441, 2021 | 113 | 2021 |
| Universal principles for the rational design of single atom electrocatalysts? handle with care G Di Liberto, LA Cipriano, G Pacchioni ACS Catalysis 12 (10), 5846-5856, 2022 | 89 | 2022 |
| Quantum confinement in group III–V semiconductor 2D nanostructures LA Cipriano, G Di Liberto, S Tosoni, G Pacchioni Nanoscale 12 (33), 17494-17501, 2020 | 71 | 2020 |
| Superoxo and peroxo complexes on single-atom catalysts: Impact on the oxygen evolution reaction LA Cipriano, G Di Liberto, G Pacchioni ACS Catalysis 12 (19), 11682-11691, 2022 | 62 | 2022 |
| Rational design of semiconductor heterojunctions for photocatalysis G Di Liberto, LA Cipriano, S Tosoni, G Pacchioni Chemistry–A European Journal 27 (53), 13306-13317, 2021 | 60 | 2021 |
| Does the Oxygen Evolution Reaction follow the classical OH*, O*, OOH* path on single atom catalysts? I Barlocco, LA Cipriano, G Di Liberto, G Pacchioni Journal of Catalysis 417, 351-359, 2023 | 50 | 2023 |
| Modeling hydrogen and oxygen evolution reactions on single atom catalysts with density functional theory: role of the functional I Barlocco, LA Cipriano, G Di Liberto, G Pacchioni Advanced Theory and Simulations 6 (10), 2200513, 2023 | 48 | 2023 |
| Plasmonic Au nanoclusters dispersed in nitrogen-doped graphene as a robust photocatalyst for light-to-hydrogen conversion D Van Dao, LA Cipriano, G Di Liberto, TTD Nguyen, SW Ki, H Son, ... Journal of Materials Chemistry A 9 (40), 22810-22819, 2021 | 38 | 2021 |
| Single atom catalysts: what matters most, the active site or the surrounding? G Di Liberto, LA Cipriano, G Pacchioni ChemCatChem 14 (19), e202200611, 2022 | 33 | 2022 |
| 2D/2D Z-scheme-based α-Fe2O3@ NGr heterojunction implanted with Pt single-atoms for remarkable photocatalytic hydrogen evolution V Dao, LA Cipriano, SW Ki, S Yadav, W Wang, G Di Liberto, K Chen, ... Applied Catalysis B: Environmental 330, 122586, 2023 | 32 | 2023 |
| Band gap in magnetic insulators from a charge transition level approach LA Cipriano, G Di Liberto, S Tosoni, G Pacchioni Journal of Chemical Theory and Computation 16 (6), 3786-3798, 2020 | 26 | 2020 |
| A few questions about single-atom catalysts: When modeling helps G Di Liberto, S Tosoni, LA Cipriano, G Pacchioni Accounts of Materials Research 3 (9), 986-995, 2022 | 23 | 2022 |
| Structure and Band Alignment of InP Photocatalysts Passivated by TiO2 Thin Films LA Cipriano, G Di Liberto, S Tosoni, G Pacchioni The Journal of Physical Chemistry C 125 (21), 11620-11627, 2021 | 14 | 2021 |
| Optical properties of anatase TiO2: synergy between transition metal doping and oxygen vacancies JC González-Torres, LA Cipriano, E Poulain, V Dominguez-Soria, ... Journal of Molecular Modeling 24, 1-11, 2018 | 12 | 2018 |
| Computational study of group III-V semiconductors and their interaction with oxide thin films LA Cipriano, G Di Liberto, S Tosoni Solid-State Electronics 184, 108038, 2021 | 4 | 2021 |
| CH3Br adsorption on MgO/Mo ultrathin films: A DFT study LA Cipriano, S Tosoni, G Pacchioni Surface Science 672, 1-6, 2018 | 4 | 2018 |
| Tuning the chemical composition of binary alloy nanoparticles to prevent their dissolution LA Cipriano, HH Kristoffersen, RL Munhos, R Pittkowski, M Arenz, ... Nanoscale 15 (41), 16697-16705, 2023 | 2 | 2023 |
| Resolving the Nanostructure of Carbon Nitride‐Supported Single‐Atom Catalysts N Allasia, S Xu, SF Jafri, E Borfecchia, LA Cipriano, G Terraneo, S Tosoni, ... Small, 2408286, 2025 | 1 | 2025 |
| Reductive Coupling of N-Heteroarenes and 1, 2-Dicarbonyls for Direct Access to γ-Amino Acids, Esters, and Ketones Using a Heterogeneous Single-Atom Iridium Catalyst H Jia, Q Liao, W Liu, LA Cipriano, H Jiang, PH Dixneuf, G Vilé, M Zhang Journal of the American Chemical Society 146 (46), 31647-31655, 2024 | 1 | 2024 |
| Electrochemical Dissolution: Paths in High-Entropy Alloy Composition Space MK Plenge, JK Pedersen, LA Cipriano, J Rossmeisl | | 2024 |