| Self-consistent study of oxygen vacancies in C Ricca, I Timrov, M Cococcioni, N Marzari, U Aschauer Physical review research 2 (2), 023313, 2020 | 85 | 2020 |
| A comprehensive DFT investigation of bulk and low‐index surfaces of ZrO2 polymorphs C Ricca, A Ringuedé, M Cassir, C Adamo, F Labat Journal of computational chemistry 36 (1), 9-21, 2015 | 84 | 2015 |
| Self-consistent site-dependent DFT+ study of stoichiometric and defective C Ricca, I Timrov, M Cococcioni, N Marzari, U Aschauer Physical Review B 99 (9), 094102, 2019 | 52 | 2019 |
| B, N‐Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations C Ricca, F Labat, C Zavala, N Russo, C Adamo, G Merino, E Sicilia Journal of computational chemistry 39 (11), 637-647, 2018 | 50 | 2018 |
| Unraveling the Charge State of Oxygen Vacancies in ZrO2–x on the Basis of Synergistic Computational and Experimental Evidence C Imparato, M Fantauzzi, C Passiu, I Rea, C Ricca, U Aschauer, ... The Journal of Physical Chemistry C 123 (18), 11581-11590, 2019 | 44 | 2019 |
| Oxidation of ethylbenzene to acetophenone with N-doped graphene: insight from theory C Ricca, F Labat, N Russo, C Adamo, E Sicilia The Journal of Physical Chemistry C 118 (23), 12275-12284, 2014 | 37 | 2014 |
| Revealing the properties of the cubic ZrO 2 (111) surface by periodic DFT calculations: reducibility and stabilization through doping with aliovalent Y 2 O 3 C Ricca, A Ringuedé, M Cassir, C Adamo, F Labat RSC advances 5 (18), 13941-13951, 2015 | 31 | 2015 |
| Conduction mechanisms in oxide–carbonate electrolytes for SOFC: highlighting the role of the interface from first-principles modeling C Ricca, A Ringuedé, M Cassir, C Adamo, F Labat The Journal of Physical Chemistry C 122 (18), 10067-10077, 2018 | 25 | 2018 |
| Molecular dynamics simulations of a lithium/sodium carbonate mixture A Ottochian, C Ricca, F Labat, C Adamo Journal of molecular modeling 22, 1-8, 2016 | 24 | 2016 |
| Mixed lithium-sodium (LiNaCO3) and lithium-potassium (LiKCO3) carbonates for low temperature electrochemical applications: Structure, electronic properties and surface … C Ricca, A Ringuedé, M Cassir, C Adamo, F Labat Surface Science 647, 66-77, 2016 | 19 | 2016 |
| Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in O C Ricca, L Grad, M Hengsberger, J Osterwalder, U Aschauer Physical review research 3 (4), 043219, 2021 | 14 | 2021 |
| A first combined electrochemical and modelling strategy on composite carbonate/oxide electrolytes for hybrid fuel cells C Ricca, V Albin, F Labat, C Adamo, M Cassir, A Ringuedé International Journal of Hydrogen Energy 41 (41), 18778-18787, 2016 | 13 | 2016 |
| Modeling composite electrolytes for low-temperature solid oxide fuel cell application: structural, vibrational and electronic features of carbonate–oxide interfaces C Ricca, A Grishin, A Ringuedé, M Cassir, C Adamo, F Labat Journal of Materials Chemistry A 4 (44), 17473-17482, 2016 | 12* | 2016 |
| Mechanisms for point defect-induced functionality in complex perovskite oxides C Ricca, U Aschauer Applied Physics A 128 (12), 1083, 2022 | 8 | 2022 |
| Local polarization in oxygen-deficient induced by charge localization in the Jahn-Teller distorted structure C Ricca, N Niederhauser, U Aschauer Physical Review Research 2 (4), 042040, 2020 | 8 | 2020 |
| Hybrid Fuel Cells with Carbonate/Oxide Composite Electrolytes: An Electrochemical and Theoretical Insight C Ricca, B Medina-Lott, V Albin, F Labat, C Adamo, M Hinojosa, M Cassir, ... ECS Transactions 68 (1), 2597, 2015 | 8 | 2015 |
| Ferroelectricity promoted by cation/anion divacancies in SrMnO 3 C Ricca, D Berkowitz, U Aschauer Journal of Materials Chemistry C 9 (38), 13321-13330, 2021 | 7 | 2021 |
| Defect Formation and Diffusion on the (001) Surface of LiKCO3 for Fuel Cell Applications: Insight from Hybrid DFT C Ricca, A Ringuede, M Cassir, A Ottochian, C Adamo, F Labat The Journal of Physical Chemistry C 120 (24), 12941-12951, 2016 | 7 | 2016 |
| Interplay between polarization, strain, and defect pairs in Fe-doped C Ricca, U Aschauer Physical Review Research 3 (3), 033237, 2021 | 3 | 2021 |
| Conversion of La 2 Ti 2 O 7 to LaTiO 2 N via ammonolysis: a first-principles investigation C Ricca, T Blandenier, V Werner, X Wang, S Pokrant, U Aschauer Physical Chemistry Chemical Physics 25 (30), 20575-20584, 2023 | 2 | 2023 |
carlo adamoENSCP - Chimie ParistechVerified email at chimie-paristech.fr