Sfoglia per Autore
Single Atom Catalysts: What Matters Most, the Active Site or The Surrounding?
2022 Di Liberto, G; Cipriano, L; Pacchioni, G
Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps
2022 Das, T; Di Liberto, G; Pacchioni, G
Layered oxides as cathode materials for beyond-Li batteries: A computational study of Ca and Al intercalation in bulk V2O5 and MoO3
2021 Das, T; Tosoni, S; Pacchioni, G
Growth and Atomic-Scale Characterization of Ultrathin Silica and Germania Films: The Crucial Role of the Metal Support
2021 Lewandowski, A; Tosoni, S; Gura, L; Yang, Z; Fuhrich, A; Prieto, M; Schmidt, T; Usvyat, D; Schneider, W; Heyde, M; Pacchioni, G; Freund, H
Iso-valent doping of reducible oxides: A comparison of rutile (110) and anatase (101) TiO2surfaces
2021 Maleki, F; Pacchioni, G
Role of surface termination in forming type-II photocatalyst heterojunctions: the case of TiO2/BiVO4
2021 Di Liberto, G; Tosoni, S; Pacchioni, G
Structures and properties of Pd nanoparticles intercalated in layered TiO2: A computational study
2021 Tosoni, S; Di Liberto, G; Pacchioni, G
Z-Schemeversustype-II junction in g-C3N4/TiO2and g-C3N4/SrTiO3/TiO2heterostructures
2021 Di Liberto, G; Tosoni, S; Pacchioni, G
Size and Shape Dependence of the Electronic Structure of Gold Nanoclusters on TiO2
2021 Yim, C; Lamoureux, P; Mellor, A; Pang, C; Idriss, H; Pacchioni, G; Thornton, G
WO3/BiVO4Photoanodes: Facets Matching at the Heterojunction and BiVO4Layer Thickness Effects
2021 Grigioni, I; Di Liberto, G; Dozzi, M; Tosoni, S; Pacchioni, G; Selli, E
Nature and Role of Surface Junctions in BiOIO3 Photocatalysts
2021 Di Liberto, G; Tosoni, S; Pacchioni, G
Role of support in tuning the properties of single atom catalysts: Cu, Ag, Au, Ni, Pd, and Pt adsorption on SiO2/Ru, SiO2/Pt, and SiO2/Si ultrathin films
2021 Das, T; Tosoni, S; Pacchioni, G
Steric and orbital effects induced by isovalent dopants on the surface chemistry of ZrO2
2021 Maleki, F; Pacchioni, G
Role of surface termination and quantum size in α-CsPbX3 (X = Cl, Br, I) 2D nanostructures for solar light harvesting
2021 Di Liberto, G; Fatale, O; Pacchioni, G
Band offset in semiconductor Heterojunctions
2021 Di Liberto, G; Pacchioni, G
Continuous network structure of two-dimensional silica across a supporting metal step edge: An atomic scale study
2021 Gura, L; Tosoni, S; Lewandowski, A; Marschalik, P; Yang, Z; Schneider, W; Heyde, M; Pacchioni, G; Freund, H
Prediction of 2D ferromagnetism and monovalent europium ions in EuBr/graphene heterojunctions
2021 Tan, H; Shan, G; Pacchioni, G
Structural and electronic properties of TiO2 from first principles calculations
2021 Tosoni, S; Di Liberto, G; Pacchioni, G
Structure and Band Alignment of InP Photocatalysts Passivated by TiO2Thin Films
2021 Cipriano Marcos, L; Di Liberto, G; Tosoni, S; Pacchioni, G
Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts
2021 Di Liberto, G; Cipriano, L; Pacchioni, G
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