| First principles computational materials design for energy storage materials in lithium ion batteries YS Meng, ME Arroyo-de Dompablo Energy & Environmental Science 2 (6), 589-609, 2009 | 561 | 2009 |
| On-demand design of polyoxianionic cathode materials based on electronegativity correlations: An exploration of the Li2MSiO4 system (M= Fe, Mn, Co, Ni) ME Arroyo-de Dompablo, M Armand, JM Tarascon, U Amador Electrochemistry Communications 8 (8), 1292-1298, 2006 | 453 | 2006 |
| DFT+ U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs ME Arroyo-de Dompablo, A Morales-García, M Taravillo The Journal of chemical physics 135 (5), 2011 | 279 | 2011 |
| Achievements, challenges, and prospects of calcium batteries ME Arroyo-de Dompablo, A Ponrouch, P Johansson, MR Palacín Chemical Reviews 120 (14), 6331-6357, 2019 | 253 | 2019 |
| Low-potential sodium insertion in a NASICON-type structure through the Ti (III)/Ti (II) redox couple P Senguttuvan, G Rousse, ME Arroyo Y De Dompablo, H Vezin, ... Journal of the American Chemical Society 135 (10), 3897-3903, 2013 | 248 | 2013 |
| On the energetic stability and electrochemistry of Li2MnSiO4 polymorphs ME Arroyo-deDompablo, R Dominko, JM Gallardo-Amores, et al. Chemistry of Materials 20 (17), 5574-5584, 2008 | 214 | 2008 |
| First-principles calculations of lithium ordering and phase stability on Li x NiO 2 MEA y de Dompablo, A Van der Ven, G Ceder Physical Review B 66 (6), 064112, 2002 | 157 | 2002 |
| Recent advances in first principles computational research of cathode materials for lithium-ion batteries YS Meng, ME Arroyo-de Dompablo Accounts of chemical research 46 (5), 1171-1180, 2013 | 153 | 2013 |
| Lattice Dynamics of β-V2O5: Raman Spectroscopic Insight into the Atomistic Structure of a High-Pressure Vanadium Pentoxide Polymorph R Baddour-Hadjean, MB Smirnov, KS Smirnov, VY Kazimirov, ... Inorganic chemistry 51 (5), 3194-3201, 2012 | 151 | 2012 |
| Crystal Structure, Energetics, And Electrochemistry of Li2FeSiO4 Polymorphs from First Principles Calculations A Saracibar, A Van der Ven, ME Arroyo-de Dompablo Chemistry of Materials 24 (3), 495-503, 2012 | 128 | 2012 |
| First principles investigations of complex hydrides AMH4 and A3MH6 (A= Li, Na, K, M= B, Al, Ga) as hydrogen storage systems MEA y De Dompablo, G Ceder Journal of alloys and compounds 364 (1-2), 6-12, 2004 | 128 | 2004 |
| Electrochemical Intercalation of Calcium and Magnesium in TiS2: Fundamental Studies Related to Multivalent Battery Applications DS Tchitchekova, A Ponrouch, R Verrelli, T Broux, C Frontera, ... Chemistry of Materials 30 (3), 847-856, 2018 | 125 | 2018 |
| Improved electrode characteristics of olivine–LiCoPO4 processed by high energy milling ME Rabanal, MC Gutierrez, F Garcia-Alvarado, EC Gonzalo, ... Journal of power sources 160 (1), 523-528, 2006 | 123 | 2006 |
| Rationalization of Intercalation Potential and Redox Mechanism for A2Ti3O7 (A = Li, Na) G Rousse, ME Arroyo-de Dompablo, P Senguttuvan, A Ponrouch, ... Chemistry of Materials 25 (24), 4946-4956, 2013 | 116 | 2013 |
| A Joint Computational and Experimental Evaluation of CaMn2O4 Polymorphs as Cathode Materials for Ca Ion Batteries MEA Dompablo, C Krich, J Nava-Avendaño, N Biskup, MR Palacin, ... Chemistry of Materials 28 (19), 6886-6893, 2016 | 87 | 2016 |
| Lithium Storage Mechanisms and Effect of Partial Cobalt Substitution in Manganese Carbonate Electrodes S Mirhashemihaghighi, B Leon, CP Vicente, JL Tirado, R Stoyanova, ... Inorganic Chemistry 51 (10), 5554-5560, 2012 | 86 | 2012 |
| In quest of cathode materials for Ca ion batteries: the CaMO 3 perovskites (M= Mo, Cr, Mn, Fe, Co, and Ni) ME Arroyo-de Dompablo, C Krich, J Nava-Avendaño, MR Palacín, ... Physical Chemistry Chemical Physics 18 (29), 19966-19972, 2016 | 84 | 2016 |
| Jahn-Teller mediated ordering in layered Li x M O 2 compounds MEA y de Dompablo, C Marianetti, A Van der Ven, G Ceder Physical Review B 63 (14), 144107, 2001 | 76 | 2001 |
| Synthesis and electrochemical properties of layered Li0.9Ni0.45Ti0.55O2 K Kang, D Carlier, J John, EM Arroyo, G Ceder, L Croguennec, C Delmas Chemistry of Materials 15 (23), 4503-4507, 2003 | 75 | 2003 |
| First-principles calculations on LixNiO2: phase stability and monoclinic distortion MEA y de Dompablo, G Ceder Journal of power sources 119, 654-657, 2003 | 70 | 2003 |
