First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel D Di Stefano, M Mrovec, C Elsässer
Acta Materialia 98, 306-312, 2015
179 2015 First-principles investigation of hydrogen interaction with TiC precipitates in D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer
Physical Review B 93 (18), 184108, 2016
169 2016 Superionic diffusion through frustrated energy landscape D Di Stefano, A Miglio, K Robeyns, Y Filinchuk, M Lechartier, A Senyshyn, ...
Chem 5 (9), 2450-2460, 2019
145 2019 OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
110 2021 The limited predictive power of the Pauling rules J George, D Waroquiers, D Di Stefano, G Petretto, GM Rignanese, ...
Angewandte Chemie 132 (19), 7639-7645, 2020
86 2020 First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel D Di Stefano, M Mrovec, C Elsässer
Physical Review B 92 (22), 224301, 2015
67 2015 Density functional theory calculations of iron-vanadium carbide interfaces and the effect of hydrogen SE Restrepo, D Di Stefano, M Mrovec, AT Paxton
International Journal of Hydrogen Energy 45 (3), 2382-2389, 2020
56 2020 First-principles investigation of hydrogen interaction with metals D Di Stefano
Dissertation, Albert-Ludwigs-Universität Freiburg, 2016, 2016
4 2016 Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicity V Kumar, D Di Stefano, GM Rignanese, X Gonze
The Journal of Chemical Physics 152 (24), 2020
3 2020 Industrially-Relevant Multiscale Modeling of Hydrogen Assisted Degradation N Winzer, D Di Stefano, M Mrovec, I Katzarov, A Paxton
International Hydrogen Conference (IHC 2012)(ASME Press, 2014), 2014
1 2014 Solid electrolyte material for solid state batteries, solid electrolyte and solid state battery Y Katoh, G Hautier, D Distefano, Y Filinchuk
US Patent 12,040,446, 2024
2024 Method for producing a solid electrolyte material and a solid electrolyte for solid state batteries Y Katoh, G Hautier, D Di Stefano, Y Filinchuk
US Patent 11,916,190, 2024
2024 Very High Lithium Diffusion in LiTi2 (PS4 )3 through Energy Landscape Frustration G Hautier, D Di Stefano, A Miglio, K Robeyns, Y Filinchuk, M Lechartier, ...
Electrochemical Society Meeting Abstracts 237, 79-79, 2020
2020 MS14-P01| REASSESSING PAULING'S RULES D Di Stefano, GM Rignanese
Foundations of Crystallography 75, e209, 2019
2019 First-Principles Approach to Lithium Diffusion in Silicon V Kumar, D Di Stefano, GM Rignanese, X Gonze
Electrochemical Society Meeting Abstracts 233, 468-468, 2018
2018