| Organic cathode for aqueous Zn-ion batteries: taming a unique phase evolution toward stable electrochemical cycling D Kundu, P Oberholzer, C Glaros, A Bouzid, E Tervoort, A Pasquarello, ... Chemistry of materials 30 (11), 3874-3881, 2018 | 390 | 2018 |
| Oxide versus nonoxide cathode materials for aqueous Zn batteries: an insight into the charge storage mechanism and consequences thereof P Oberholzer, E Tervoort, A Bouzid, A Pasquarello, D Kundu ACS applied materials & interfaces 11 (1), 674-682, 2018 | 216 | 2018 |
| Atomic-scale simulation of electrochemical processes at electrode/water interfaces under referenced bias potential A Bouzid, A Pasquarello The journal of physical chemistry letters 9 (8), 1880-1884, 2018 | 85 | 2018 |
| Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe 4 A Bouzid, C Massobrio, M Boero, G Ori, K Sykina, E Furet Physical Review B 92 (13), 134208, 2015 | 47 | 2015 |
| Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study A Bouzid, S Le Roux, G Ori, M Boero, C Massobrio The Journal of chemical physics 143 (3), 2015 | 41 | 2015 |
| First-principles molecular dynamics study of glassy GeS: Atomic structure and bonding properties M Celino, S Le Roux, G Ori, B Coasne, A Bouzid, M Boero, C Massobrio Physical Review B 88 (17), 174201, 2013 | 41 | 2013 |
| Structural properties of glassy Ge 2 Se 3 from first-principles molecular dynamics S Le Roux, A Bouzid, M Boero, C Massobrio Physical Review B 86 (22), 224201, 2012 | 41 | 2012 |
| Thermal conductivity of glassy GeTe 4 by first-principles molecular dynamics A Bouzid, H Zaoui, PL Palla, G Ori, M Boero, C Massobrio, F Cleri, ... Physical Chemistry Chemical Physics 19 (15), 9729-9732, 2017 | 39 | 2017 |
| Density-driven defect-mediated network collapse of glass K Wezka, A Bouzid, KJ Pizzey, PS Salmon, A Zeidler, S Klotz, HE Fischer, ... Physical Review B 90 (5), 054206, 2014 | 36 | 2014 |
| Note: Accounting for pressure effects on the calculated equilibrium structure of glassy GeSe2 A Bouzid, C Massobrio The Journal of chemical physics 137 (4), 2012 | 31 | 2012 |
| Pressure-induced structural changes in the network-forming isostatic glass GeSe 4: An investigation by neutron diffraction and first-principles molecular dynamics A Bouzid, KJ Pizzey, A Zeidler, G Ori, M Boero, C Massobrio, S Klotz, ... Physical Review B 93 (1), 014202, 2016 | 28 | 2016 |
| Atomic-scale structure of the glassy phase change material: A quantitative assessment via first-principles molecular dynamics A Bouzid, G Ori, M Boero, E Lampin, C Massobrio Physical Review B 96 (22), 224204, 2017 | 27 | 2017 |
| The structure of liquid GeSe revisited: A first principles molecular dynamics study S Le Roux, A Bouzid, M Boero, C Massobrio The Journal of chemical physics 138 (17), 2013 | 27 | 2013 |
| Reaction pathway of oxygen evolution on Pt (1 1 1) revealed through constant Fermi level molecular dynamics A Bouzid, P Gono, A Pasquarello Journal of catalysis 375, 135-139, 2019 | 26 | 2019 |
| Redox levels through constant Fermi-level ab initio molecular dynamics A Bouzid, A Pasquarello Journal of Chemical Theory and Computation 13 (4), 1769-1777, 2017 | 26 | 2017 |
| First-principles study of amorphous Ga 4 Sb 6 Te 3 phase-change alloys A Bouzid, S Gabardi, C Massobrio, M Boero, M Bernasconi Physical Review B 91 (18), 184201, 2015 | 26 | 2015 |
| Evaluating the critical roles of precursor nature and water content when tailoring magnetic nanoparticles for specific applications G Cotin, C Kiefer, F Perton, M Boero, B Ozdamar, A Bouzid, G Ori, ... ACS Applied Nano Materials 1 (8), 4306-4316, 2018 | 23 | 2018 |
| On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4 E Martin, PL Palla, F Cleri, A Bouzid, G Ori, S Le Roux, M Boero, ... Journal of Non-Crystalline Solids 498, 190-193, 2018 | 21 | 2018 |
| Surface of glassy : A model based on a first-principles approach G Ori, C Massobrio, A Bouzid, M Boero, B Coasne Physical Review B 90 (4), 045423, 2014 | 21 | 2014 |
| Defect Formation Energies of Interstitial C, Si, and Ge Impurities in β‐Ga2O3 A Bouzid, A Pasquarello physica status solidi (RRL)–Rapid Research Letters, 1800633, 2019 | 17 | 2019 |
Carlo MassobrioIPCMSVerified email at ipcms.unistra.fr
