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
120 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
48 2018 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
36 2012 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
33 2015 Density-driven defect-mediated network collapse of K Wezka, A Bouzid, KJ Pizzey, PS Salmon, A Zeidler, S Klotz, HE Fischer, ...
Physical Review B 90 (5), 054206, 2014
32 2014 First-principles molecular dynamics study of glassy GeS 2: 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
32 2013 Note: Accounting for pressure effects on the calculated equilibrium structure of glassy GeSe2 A Bouzid, C Massobrio
The Journal of chemical physics 137 (4), 046101, 2012
32 2012 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), 034504, 2015
28 2015 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), 174505, 2013
25 2013 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
24 2016 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
23 2018 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
23 2017 Atomic-scale structure of the glassy A Bouzid, G Ori, M Boero, E Lampin, C Massobrio
Physical Review B 96 (22), 224204, 2017
17 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
17 2015 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
13 2017 Surface of glassy G Ori, C Massobrio, A Bouzid, M Boero, B Coasne
Physical Review B 90 (4), 045423, 2014
13 2014 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
9 2018 Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2 E Lampin, A Bouzid, G Ori, M Boero, C Massobrio
The Journal of Chemical Physics 147 (4), 044504, 2017
8 2017 Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides C Massobrio, E Martin, Z Chaker, M Boero, A Bouzid, S Le Roux, G Ori
Frontiers in Materials 5, 78, 2018
7 2018 Structure of amorphous GeSe9 by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects S Le Roux, A Bouzid, KY Kim, S Han, A Zeidler, PS Salmon, C Massobrio
The Journal of chemical physics 145 (8), 084502, 2016
7 2016 
Carlo MassobrioIPCMSEmail verificata su ipcms.unistra.fr
