Sfoglia per Autore
Operando visualization of the hydrogen evolution reaction with atomic-scale precision at different metal–graphene interfaces
2021 Kosmala, T; Baby, A; Lunardon, M; Perilli, D; Liu, H; Durante, C; Di Valentin, C; Agnoli, S; Granozzi, G
“Inside out” growth method for high-quality nitrogen-doped graphene
2021 Fiori, S; Perilli, D; Panighel, M; Cepek, C; Ugolotti, A; Sala, A; Liu, H; Comelli, G; Di Valentin, C; Africh, C
Parametrization of the Fe-Owatercross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4nanoparticle of realistic size
2021 Siani, P; Bianchetti, E; Liu, H; Di Valentin, C
Multiscale simulations of the hydration shells surrounding spherical Fe3O4nanoparticles and effect on magnetic properties
2021 Liu, H; Siani, P; Bianchetti, E; Zhao, J; Di Valentin, C
Dynamic rockfall risk analysis
2020 Wang, X; Frattini, P; Stead, D; Sun, J; Liu, H; Valagussa, A; Li, L
Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping
2020 Perilli, D; Fiori, S; Panighel, M; Liu, H; Cepek, C; Peressi, M; Comelli, G; Africh, C; Di Valentin, C
Insight into the Na adsorption on WSe2xS2(1-x)monolayers: A hybrid functional investigation
2020 Liu, H; Liu, H; Perilli, D; Dolce, M; Di Valentin, C
Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations
2020 Liu, H; Bianchetti, E; Siani, P; Di Valentin, C
Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN
2019 Perilli, D; Selli, D; Liu, H; Di Valentin, C
Insights into magnetite bulk, surface and nanoparticles by first principles
2019 Li, H; Seifert, G; Di Valentin, C
Insights into magnetite bulk, surface and nanoparticles by first-principles
2019 Liu, H; Seifert, G; Di Valentin, C
Tuning the hydrogen evolution reaction at the Pt(111) surface with 2D material and non-precious metal
2019 Baby, A; Perilli, D; Liu, H; Kosmala, T; Lamana, L; Granozzi, G; Agnoli, S; Di Valentin, C
An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT
2019 Liu, H; Seifert, G; Di Valentin, C
Shaping Magnetite Nanoparticles from First Principles
2019 Liu, H; Di Valentin, C
Microscopic insight into the single step growth of in-plane heterostructures between graphene and hexagonal boron nitride
2019 Nguyen, T; Perilli, D; Cattelan, M; Liu, H; Sedona, F; Fox, N; Di Valentin, C; Agnoli, S
Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN
2019 Perilli, D; Selli, D; Liu, H; Di Valentin, C
Nature of Excitons in Bidimensional WSe2 by Hybrid Density Functional Theory Calculations
2018 Liu, H; Lazzaroni, P; Di Valentin, C
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
From bulk to (001) surface Fe3O4: electronic properties and water adsorption
2018 Di Valentin, C; Liu, H
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
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