Effective prediction of SnO2 conduction band edge potential The key role of surface oxygen vacancies

von Sannino, Gennaro Vincenzo
Veröffentlicht in: Journal of computational chemistry (2024)

P2-Type Na0.84Li0.1Ni0.27Mn0.63O2-Layered Oxide Na-Ion Battery Cathode Structural Insights and Electrochemical Compatibility with Room-Temperature Ionic Liquids

von Massaro, Arianna
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2024)

Structural Evolution of Air-Exposed Layered Oxide Cathodes for Sodium-Ion Batteries An Example of Ni-doped NaxMnO2

von Brugnetti, Gabriele
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2023)

Structural and electronic properties of defective 2D transition metal dichalcogenide heterostructures

von Pecoraro, Adriana
Veröffentlicht in: Journal of computational chemistry (2020)

Role and effective treatment of dispersive forces in materials Polyethylene and graphite crystals as test cases

von Barone, Vincenzo
Veröffentlicht in: Journal of computational chemistry (2009)

Reliable NMR chemical shifts for molecules in solution by methods rooted in density functional theory

von Benzi, Caterina
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2004)