SELLI, DANIELE
SELLI, DANIELE
DIPARTIMENTO DI SCIENZA DEI MATERIALI
Superhard sp3 carbon allotropes with odd and even ring topologies
2011 Selli, D; Baburin, I; Martoňák, R; Leoni, S
Optimizing electronic structure and quantum transport at the graphene-Si(111) Interface: An ab initio density-functional study
2013 Tayran, C; Zhu, Z; Baldoni, M; Selli, D; Seifert, G; Tománek, D
Hierarchical thermoelectrics: Crystal grain boundaries as scalable phonon scatterers
2016 Selli, D; Boulfelfel, S; Schapotschnikow, P; Donadio, D; Leoni, S
Ab initio investigation of polyethylene glycol coating of TiO2 surfaces
2016 Selli, D; DI VALENTIN, C
Interfaces: Modeling and computational strategies
2017 Selli, D; Fazio, G; Ferrighi, L; Perilli, D; Seifert, G; Di Valentin, C
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles
2017 Di Valentin, C; Ferrighi, L; Datteo, M; Fazio, G; Selli, D
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles
2017 Di Valentin, C; Ferrighi, L; Datteo, M; Fazio, G; Selli, D
Photoexcited carriers recombination and trapping in spherical vs faceted TiO2 nanoparticles
2017 Di Valentin, C; Fazio, G; Ferrighi, L; Selli, D
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
2017 Selli, D; Fazio, G; Di Valentin, C
Water at the Interface between Defective Graphene and Cu or Pt (111) Surfaces
2017 Ferrighi, L; Perilli, D; Selli, D; Di Valentin, C
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method
2017 Selli, D; Fazio, G; Seifert, G; DI VALENTIN, C
Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
2017 Selli, D; Fazio, G; Di Valentin, C
π Magnetism of Carbon Monovacancy in Graphene by Hybrid Density Functional Calculations
2017 Ronchi, C; Datteo, M; Perilli, D; Ferrighi, L; Fazio, G; Selli, D; Di Valentin, C
Modelling Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
2018 Di Valentin, C; Fazio, G; Selli, D; Seifert, G
Modelling Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
2018 Di Valentin, C; Selli, D; KAVIANI BAGHBADORANI, M; Liu, H; Datteo, M; Ronchi, C
Quantum chemical simulations of stimuli-responsive nanomaterials for biomedical applications
2018 Di Valentin, C; Selli, D; Kaviani, M
Water at the Interface Between Defective Graphene and Cu or Pt (111) Surface
2018 Perilli, D; Ferrighi, L; Selli, D; Di Valentin, C
Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects
2018 Fazio, G; Selli, D; Ferraro, L; Seifert, G; Di Valentin, C
h-BN Defective Layers as Giant N-Donor Macrocycles for Cu Adatom Trapping from the Underlying Metal Substrate
2018 Perilli, D; Selli, D; Liu, H; Bianchetti, E; DI VALENTIN, C
Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO2Photocatalyst
2018 Shirai, K; Fazio, G; Sugimoto, T; Selli, D; Ferraro, L; Watanabe, K; Haruta, M; Ohtani, B; Kurata, H; Di Valentin, C; Matsumoto, Y