| A Molecular Dynamics study of grain boundaries in YSZ: structure, energetics and diffusion of oxygen RL González-Romero, JJ Meléndez, D Gómez-García, FL Cumbrera, ... Solid State Ionics 219, 1-10, 2012 | 48 | 2012 |
| Insights into the thermoelectric properties of SnSe from ab initio calculations RL González-Romero, A Antonelli, JJ Meléndez Physical chemistry chemical physics 19 (20), 12804-12815, 2017 | 47 | 2017 |
| Cation diffusion in yttria-zirconia by molecular dynamics RL González-Romero, JJ Meléndez, D Gómez-García, FL Cumbrera, ... Solid State Ionics 204, 1-6, 2011 | 31 | 2011 |
| Segregation to the grain boundaries in YSZ bicrystals: a Molecular Dynamics study RL González-Romero, JJ Meléndez, D Gómez-García, FL Cumbrera, ... Solid State Ionics 237, 8-15, 2013 | 28 | 2013 |
| Ultralow and anisotropic thermal conductivity in semiconductor As 2 Se 3 RL González-Romero, A Antonelli, AS Chaves, JJ Meléndez Physical chemistry chemical physics 20 (3), 1809-1816, 2018 | 25 | 2018 |
| Yttrium segregation and oxygen diffusion along high-symmetry grain boundaries in YSZ RL González-Romero, JJ Meléndez Journal of Alloys and Compounds 622, 708-713, 2015 | 23 | 2015 |
| Relaxation dynamics of the conductive processes for PbNb2O6 ferroelectric ceramics in the frequency and time domain RL Gonzalez, Y Leyet, F Guerrero, JLS Guerra, M Venet, JA Eiras Journal of physics: condensed matter 19 (13), 136218, 2007 | 22 | 2007 |
| Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe AS Chaves, RL González-Romero, JJ Meléndez, A Antonelli Physical chemistry chemical physics 23 (2), 900-913, 2021 | 17 | 2021 |
| Can erbium dopant occupy both cation sites in cubic barium titanate via a mechanism different than self‐compensation? YA Zulueta, F Guerrero, Y Leyet, J Anglada‐Rivera, ... physica status solidi (b) 252 (3), 508-516, 2015 | 16 | 2015 |
| Quasiparticle bands and optical properties of SnSe from an ab initio approach JJ Meléndez, RL González-Romero, A Antonelli Computational materials science 152, 107-112, 2018 | 14 | 2018 |
| Estimating carrier relaxation times in the Ba 8 Ga 16 Ge 30 clathrate in the extrinsic regime RL González-Romero, A Antonelli Physical chemistry chemical physics 19 (4), 3010-3018, 2017 | 12 | 2017 |
| Variation of the zT factor of SnSe with doping: A first-principles study RL González-Romero, JJ Meléndez Journal of Alloys and Compounds 732, 536-546, 2018 | 10 | 2018 |
| zT factors in Ag-and Na-doped SnSe: Chemical potentials, relaxation times and predictions for other dopant species JJ Meléndez, RL González-Romero Journal of Alloys and Compounds 757, 70-78, 2018 | 8 | 2018 |
| Electrical properties of reduced 3YTZP ceramics consolidated by spark plasma sintering R Poyato, J Macías-Delgado, A Garcia-Valenzuela, RL González-Romero, ... Ceramics International 42 (6), 6713-6719, 2016 | 8 | 2016 |
| Segregation-induced grain boundary electrical potential in ionic oxide materials: A first principles model D Gómez-García, JJ Meléndez, RL González-Romero, ... Acta materialia 58 (19), 6404-6410, 2010 | 6 | 2010 |
| Hosting of La3+ guest ions in type-I Ge clathrates: A first-principles characterization for thermoelectric applications RL Gonzalez-Romero, CR Miranda, MA Avila, A Antonelli Computational materials science 122, 46-56, 2016 | 4 | 2016 |
| Recent insights on the superplastic behaviour of ceramics D Gómez-García, S de Bernardi-Martín, BM Moshtaghioun, ... Materials Science Forum 735, 120-129, 2013 | 4 | 2013 |
| -factor enhancement in SnSe: predictions from first principles calculations RL González-Romero, A Antonelli, JJ Meléndez arXiv preprint arXiv:1612.05967, 2016 | 3 | 2016 |
| Thermoelectric transport properties with non-parabolicity, degeneracy and multiplicity of band edges: The case of anisotropic p-type SnSe A Chaves, J Melendez, R Gonzalez-Romero, A Antonelli APS March Meeting Abstracts 2019, R47. 013, 2019 | 1 | 2019 |
| Ultralow and Anisotropic Thermal Conductivity in Crystalline As2Se3 R GonzáLez-Romero, A Antonelli, A Chaves, J Meléndez APS March Meeting Abstracts 2018, A21. 005, 2018 | | 2018 |
