72 citations · 706 across the 26 of their papers we have counts for
8 papers · 1 filter
Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt)
Paul O. Adebambo, Gboyega A. Adebayo, Roberto Guerra +1
In this work we calculate the thermoelectric figure of merit of XHfPb (X= Ni, Pd, and Pt) by computing the both the power factor and the lattice thermal conductivity by first princ…
Registry dependent potential for interfaces of gold with graphitic systems
Wengen Ouyang, Oded Hod, Roberto Guerra
We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene…
Graphene on h-BN: to align or not to align?
Roberto Guerra, Merel van Wijk, Andrea Vanossi +2
The contact strength, adhesion and friction, between graphene and an incommensurate crystalline substrate such as {\it h}-BN depends on their relative alignment angle . The well…
Silicon Nanocrystallites in SiO2 Matrix: The Role of Disorder and Size
Roberto Guerra, Ivan Marri, Rita Magri +4
We compare, through first-principles pseudopotential calculations, the structural, electronic and optical properties of different size silicon nanoclusters embedded in a SiO2 cryst…
Local-fields and disorder effects in free-standing and embedded Si nanocrystallites
Roberto Guerra, Elena Degoli, Margherita Marsili +2
The case study of a 32-atoms Si nanocrystallite (NC) embedded in a SiO2 matrix, both crystalline and amorphous, or free-standing with different conditions of passivation and strain…
Ballistic nanofriction
Roberto Guerra, Ugo Tartaglino, Andrea Vanossi +1
Sliding parts in nanosystems such as Nano ElectroMechanical Systems (NEMS) and nanomotors, increasingly involve large speeds, and rotations as well as translations of the moving su…
Size, oxidation, and strain in small Si/SiO2 nanocrystals
Roberto Guerra, Elena Degoli, Stefano Ossicini
The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. Th…
High Luminescence in Small Si/SiO2 Nanocrystals: A Theoretical Study
Roberto Guerra, Stefano Ossicini
In recent years many experiments have demonstrated the possibility to achieve efficient photoluminescence from Si/SiO2 nanocrystals. While it is widely known that only a minor port…