SELLI, DANIELE

SELLI, DANIELE  

DIPARTIMENTO DI SCIENZA DEI MATERIALI  

Mostra records
Risultati 1 - 20 di 27 (tempo di esecuzione: 0.024 secondi).
Titolo Tipologia Data di pubblicazione Autori File
Superhard sp3 carbon allotropes with odd and even ring topologies 01 - Articolo su rivista 2011 SELLI, DANIELE +
Optimizing electronic structure and quantum transport at the graphene-Si(111) Interface: An ab initio density-functional study 01 - Articolo su rivista 2013 SELLI, DANIELE +
Hierarchical thermoelectrics: Crystal grain boundaries as scalable phonon scatterers 01 - Articolo su rivista 2016 SELLI, DANIELE +
Ab initio investigation of polyethylene glycol coating of TiO2 surfaces 01 - Articolo su rivista 2016 SELLI, DANIELEDI VALENTIN, CRISTIANA
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles 02 - Intervento a convegno 2017 Di Valentin, CFERRIGHI, LDATTEO, MFAZIO, GSELLI, D
Water at the Interface between Defective Graphene and Cu or Pt (111) Surfaces 01 - Articolo su rivista 2017 Ferrighi, LPERILLI, DANIELESelli, DDi Valentin, C
Interfaces: Modeling and computational strategies 02 - Intervento a convegno 2017 Selli, DFazio, G.Ferrighi, LPerilli, DDi Valentin, C +
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles 02 - Intervento a convegno 2017 Di Valentin, CFerrighi, LDatteo, MFazio, GSelli, D
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT 01 - Articolo su rivista 2017 Selli, DanieleFazio, GianlucaDi Valentin, Cristiana
Photoexcited carriers recombination and trapping in spherical vs faceted TiO2 nanoparticles 02 - Intervento a convegno 2017 Di Valentin, C.Fazio, G.Ferrighi, L.Selli, D.
Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water 01 - Articolo su rivista 2017 Selli, DanieleFazio, GianlucaDi Valentin, Cristiana
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method 01 - Articolo su rivista 2017 SELLI, DANIELEFAZIO, GIANLUCADI VALENTIN, CRISTIANA +
π Magnetism of Carbon Monovacancy in Graphene by Hybrid Density Functional Calculations 01 - Articolo su rivista 2017 Ronchi, CDatteo, MPerilli, DFerrighi, LFazio, GSelli, DDi Valentin, C
Quantum chemical simulations of stimuli-responsive nanomaterials for biomedical applications 02 - Intervento a convegno 2018 Di Valentin, CSelli, DKaviani, M
Water at the Interface Between Defective Graphene and Cu or Pt (111) Surface 02 - Intervento a convegno 2018 Perilli, DFerrighi, LSelli, DDi Valentin, C
Modelling Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water 02 - Intervento a convegno 2018 Di Valentin, CFazio, GSelli, D +
Modelling Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water 02 - Intervento a convegno 2018 Di Valentin, CSelli, DKAVIANI BAGHBADORANI, MOLOUDLiu, HDatteo, MRonchi, C
h-BN Defective Layers as Giant N-Donor Macrocycles for Cu Adatom Trapping from the Underlying Metal Substrate 01 - Articolo su rivista 2018 PERILLI, DANIELESELLI, DANIELELIU, HONGSHENGEnrico BianchettiCristiana Di Valentin
Interfacing CRYSTAL/AMBER to optimize QM/MM Lennard–Jones parameters for water and to study solvation of TiO2 nanoparticles 01 - Articolo su rivista 2018 Selli, DFazio, GFerraro, LDi Valentin, C +
Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO2Photocatalyst 01 - Articolo su rivista 2018 Fazio, GianlucaSelli, DanieleFerraro, LorenzoDi Valentin, Cristiana +