Andrea Pedrielli

activity

20172022

collaborators

5 papers

cond-mat.mtrl-sci2022

In search of the ground state crystal structure of Ta $_{2}$ O $_{5}$ from ab-initio and Monte Carlo simulations

Andrea Pedrielli, Nicola Maria Pugno, Maurizio Dapor +1

Tantalum oxides (Ta $_{2}$ O $_{5}$ ) are characterised by attractive physical and chemical properties, such as high dielectric constants and anti-reflection behaviour. Recently, Ta $_{2}$ O$_…

cond-mat.mtrl-sci2021

Electronic excitation spectra of cerium oxides: from ab initio dielectric response functions to Monte Carlo charge transport simulations

Andrea Pedrielli, Pablo de Vera, Paolo E. Trevisanutto +5

Nanomaterials made of the cerium oxides CeO $_{2}$ and Ce $_{2}$ O $_{3}$ have a broad range of applications, from catalysts in automotive, industrial or energy operations to promising mater…

cond-mat.mtrl-sci2018

Structural, Electronic and Mechanical properties of all-sp $^{2}$ graphene allotropes: the specific strength of tilene parent is higher than that of graphene and flakene has the minimal density

Tommaso Morresi, Andrea Pedrielli, Silvio a Beccara +3

In this work a systematic approach to the search for all- $s p^{2}$ bonded carbon allotropes with low density is presented. In particular, we obtain a number of novel energetically sta…

cond-mat.mes-hall2018

On deformation of carbon nanotubes with TersoffCG: a case study

Andrea Pedrielli

Recently, TersoffCG, a coarse grain potential for graphene based on Tersoff potential, has been developed. In this work, we explore this potential, applying it to the case study of…

cond-mat.mtrl-sci2017

Gas Adsorption and Dynamics in Pillared Graphene Frameworks

Andrea Pedrielli, Simone Taioli, Giovanni Garberoglio +1

Pillared Graphene Frameworks are a novel class of microporous materials made by graphene sheets separated by organic spacers. One of their main features is that the pillar type and…

In search of the ground state crystal structure of Ta2​O5​ from ab-initio and Monte Carlo simulations

Electronic excitation spectra of cerium oxides: from ab initio dielectric response functions to Monte Carlo charge transport simulations

Structural, Electronic and Mechanical properties of all-sp2 graphene allotropes: the specific strength of tilene parent is higher than that of graphene and flakene has the minimal density

On deformation of carbon nanotubes with TersoffCG: a case study

Gas Adsorption and Dynamics in Pillared Graphene Frameworks

In search of the ground state crystal structure of Ta $_{2}$ O $_{5}$ from ab-initio and Monte Carlo simulations

Structural, Electronic and Mechanical properties of all-sp $^{2}$ graphene allotropes: the specific strength of tilene parent is higher than that of graphene and flakene has the minimal density