| Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO2 Hydrogenation to Methanol F Brix, V Desbuis, L Piccolo, É Gaudry The Journal of Physical Chemistry Letters 11 (18), 7672-7678, 2020 | 33 | 2020 |
| Atomistic structure search using local surrogate model N Rønne, MPV Christiansen, AM Slavensky, Z Tang, F Brix, ME Pedersen, ... The Journal of Chemical Physics 157 (17), 2022 | 13 | 2022 |
| Two-dimensional oxide quasicrystal approximants with tunable electronic and magnetic properties TT Dorini, F Brix, C Chatelier, A Kokalj, É Gaudry Nanoscale 13 (24), 10771-10779, 2021 | 12 | 2021 |
| Two-dimensional square and hexagonal oxide quasicrystal approximants in SrTiO 3 films grown on Pt (111)/Al 2 O 3 (0001) CR Merchan, TT Dorini, F Brix, L Pasquier, M Jullien, D Pierre, S Andrieu, ... Physical Chemistry Chemical Physics 24 (12), 7253-7263, 2022 | 8 | 2022 |
| The (010) Surface of the Al45Cr7 Complex Intermetallic Compound: Insights from Density Functional Theory F Brix, R Simon, É Gaudry Zeitschrift für anorganische und allgemeine Chemie 646 (14), 1176-1182, 2020 | 6 | 2020 |
| Synthesis and structural refinement of isomorphic cyclosilicate Ca3RE2 (Si3O9) 2 (RE= Nd, Sm, Gd, Dy, Yb) F Perrudin, C Petitjean, PJ Panteix, F Brix, J Bonnal, D Bonina, M Vilasi Journal of Solid State Chemistry 313, 123312, 2022 | 5 | 2022 |
| Ammonia synthesis on the RRuSi (001)(R= Ca, La) surfaces: DFT insights revealing the active La termination of the LaRuSi electride F Brix, G Frapper, É Gaudry The Journal of Physical Chemistry C 126 (6), 3009-3016, 2022 | 5 | 2022 |
| Two-dimensional metal structures revealed by evolutionary computations: Pb/Al13Co4 (100) as a case study F Brix, É Gaudry Journal of Vacuum Science & Technology A 40 (1), 2022 | 2 | 2022 |
| A new modeling of the dissolution of chromia in Na2O-SiO2 liquids V Szczepan, F Brix, C Petitjean, PJ Panteix, M Vilasi Journal of Non-Crystalline Solids 545, 120153, 2020 | 2 | 2020 |
| Cascading symmetry constraint during machine learning-enabled structural search for sulfur-induced Cu (111)-(43× 43) surface reconstruction F Brix, MP Verner Christiansen, B Hammer The Journal of Chemical Physics 160 (17), 2024 | 1 | 2024 |
| Structures of quaternary chromium silicides revealed by a combination of resonant X-ray diffraction and ab initio calculations F Brix, E Gaudry, M François, E Elkaïm, C Desgranges, P Sallot, ... Intermetallics 105, 130-138, 2019 | 1 | 2019 |
| Contribution à la recherche de matériaux de type «siliciures» résistant à l’environnement à haute température en vue d’applications dans le domaine de la thermoélectricité F Brix Université de Lorraine, 2018 | 1 | 2018 |
| Crystallographic Features of Phases Involved in the Oxidation of Ti3Ni3CrSi6 F Brix, L Portebois, M François, S Mathieu, M Vilasi Oxidation of Metals 88, 257-266, 2017 | 1 | 2017 |
| Hydrogen, Oxygen, and Lead Adsorbates on Al13Co4(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based … N Boulangeot, F Brix, F Sur, É Gaudry Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Augmentation of Universal Potentials for Broad Applications J Pitfield, F Brix, Z Tang, AM Slavensky, N Rønne, MPV Christiansen, ... arXiv preprint arXiv:2407.14288, 2024 | | 2024 |
| Quasicrystalline ultrathin oxide films: model structures and properties T Dorini, F Brix, C Ruano Merchan, M Sicot, V Fournee, E Gaudry Acta Crystallographica Section A: Foundations and Advances 78, a598-a598, 2022 | | 2022 |
| From high temperature phase formation to transition metal substitution in the Fe/Al9Co2 (001) system D Dubaux, F Brix, É Gaudry, P Gille, MC de Weerd, V Fournee, M Sicot, ... Applied Surface Science 591, 153100, 2022 | | 2022 |
| Tuning adsorption energies and reaction pathways by alloying: PdZn versus Pd for CO2 reduction to methanol F Brix, V Debuis, L Piccolo, E Gaudry CCE-2021, 5th International Conference on Catalysis and Chemical Engineering …, 2021 | | 2021 |
| Two-dimensional metal structures revealed by evolutionary computations: Pb/Al F Brix, É Gaudry | | 2021 |
| MS21-1-2 Quasicrystalline ultrathin oxide films: model structures and properties# MS21-1-2 T Dorini, F Brix, CR Merchan, M Sicot, V Fournee, E Gaudry Foundations of Crystallography, 0 | | |
