M. Elena Arroyo-de Dompablo

First principles computational materials design for energy storage materials in lithium ion batteries

Ying Shirley Meng, M. Elena Arroyo-de Dompablo · Energy & Environmental Science · 2009 · 530 citations

Engineering, Chemistry, Energy Storage Materials +19

On-demand design of polyoxianionic cathode materials based on electronegativity correlations: An exploration of the Li2MSiO4 system (M=Fe, Mn, Co, Ni)

M. Elena Arroyo-de Dompablo, Michel Armand, J.‐M. Tarascon et al. · Electrochemistry Communications · 2006 · 351 citations · Full text

Materials Science, Engineering, Battery Electrode Materials +12

DFT+<i>U</i> calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs

M. Elena Arroyo-de Dompablo, Ángel Morales‐García, Mercedes Taravillo · The Journal of Chemical Physics · 2011 · 264 citations

Low-Potential Sodium Insertion in a NASICON-Type Structure through the Ti(III)/Ti(II) Redox Couple

Premkumar Senguttuvan, Gwenaëlle Rousse, M. Elena Arroyo-de Dompablo et al. · Journal of the American Chemical Society · 2013 · 244 citations

Engineering, Electrode-electrolyte Interface, Solid-state Chemistry +19

On the Energetic Stability and Electrochemistry of Li₂MnSiO₄ Polymorphs

M. Elena Arroyo-de Dompablo, Robert Dominko, J. M. Gallardo‐Amores et al. · Chemistry of Materials · 2008 · 180 citations

Crystal Structure, Engineering, Chemistry +17