A5024472333- Graphene research and applications
- Semiconductor materials and devices
- 2D Materials and Applications
- Silicon Carbide Semiconductor Technologies
- Topological Materials and Phenomena
- Synthesis and Properties of Aromatic Compounds
- Nanowire Synthesis and Applications
- Chalcogenide Semiconductor Thin Films
- Semiconductor materials and interfaces
- Quantum Dots Synthesis And Properties
- Molecular Junctions and Nanostructures
- Silicon Nanostructures and Photoluminescence
- Copper Interconnects and Reliability
- Surface and Thin Film Phenomena
- Electronic and Structural Properties of Oxides
- Quantum and electron transport phenomena
- Carbon Nanotubes in Composites
- Force Microscopy Techniques and Applications
- Photonic and Optical Devices
- MXene and MAX Phase Materials
- Semiconductor Quantum Structures and Devices
- Advanced ceramic materials synthesis
- Ga2O3 and related materials
- Synthesis and characterization of novel inorganic/organometallic compounds
- Aluminum Alloys Composites Properties
University of Milano-Bicocca
2018-2025
Mylan (Switzerland)
2019-2021
University of Cagliari
2021
Max-Planck-Institut für Nachhaltige Materialien
2014-2020
Milano University Press
2019-2020
Max Planck Society
2015
KU Leuven
2011-2014
Federico II University Hospital
2000
The electronic properties of hydrogenated silicene and germanene, so called silicane germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations found to be stable energetically degenerate. Upon the adsorption hydrogen, an energy gap opens in germanene. Their gaps next computed HSE hybrid as well G0W0 many-body perturbation method. These materials wide band-gap semiconductors, type (direct or indirect)...
The structural and electronic properties of a Si nanosheet (NS) grown onto MoS2 substrate by means molecular beam epitaxy are assessed. Epitaxially is shown to adapt the trigonal prismatic surface lattice forming two-dimensional nanodomains. layer structure distinguished from underlying structure. local dictated atomistic arrangement unlike hosting they qualified gap-less density states.
By combining experimental techniques with ab-initio density functional theory calculations, we describe the Si/Ag(111) two-dimensional system in terms of a sp 2 -sp 3 crystalline form silicon characterized by vertically distorted honeycomb lattice.We show that 2D Si NSs are qualified prevailing Raman peak which can be assigned to graphene-like E 2g vibrational mode and highly superstructures semiconductive whereas low ones behave as semimetals.
We study the structural, mechanical and electronic properties of two-dimensional (2D) allotrope tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set computer codes. Continuing trend group-IV 2D materials graphene, silicene germanene; tinene is predicted to have honeycomb lattice with parameter a0 = 4.62 A buckling d0 0.92 A. The dispersion shows Dirac cone zero gap at Fermi energy velocity m s−1; including spin–orbit coupling yields...
The interaction of silicene, the silicon counterpart graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. charge transfer occurring at silicene/(0001) interface leads to opening an indirect energy band gap about 0.7 eV in silicene. Remarkably, nature (indirect or direct) and magnitude silicene can be controlled by external electric field: predicted become direct for fields larger than 0.5 V Å−1, decreases approximately linearly applied field....
Closing the gap between experiments and simulations in investigation of high-pressure silicon phase transitions calls for advanced, new-generation modeling approaches. By exploiting massive parallelization, we here provide molecular dynamics (MD) Si nanoindentation based on Gaussian Approximation Potential (GAP). Results are analyzed by a customized Neural Network Phase Recognition (NN-PR) approach, helping to shed light occurring during simulations. Our results show that GAP provides...
By using first-principles simulations, we investigate the interaction of a 2D silicon layer with two classes chalcogenide-layered compounds, namely MoX2 and GaX (X = S, Se, Te). A rather weak (van der Waals) between silicene layers chalcogenide is predicted. We found that buckling correlated to lattice mismatch or template. The electronic properties on these different templates largely depend layer: highly buckled MoS2 predicted be metallic, while low GaS GaSe semi-metallic, preserved Dirac...
Abstract The fundamental bandgap E g of a semiconductor—often determined by means optical spectroscopy—represents its characteristic fingerprint and changes distinctively with temperature. Here, we demonstrate that in magic sized II-VI clusters containing only 26 atoms, pronounced weakening the bonds occurs upon excitation, which results strong exciton-driven shift phonon spectrum. As consequence, drastic increase d /d T (up to factor 2) respect bulk material or nanocrystals typical size is...
The relative stability of SiC polytypes, changing with temperature, has been considered a paradox for about thirty years, due to discrepancies between theory and experiments. Based on ab-initio calculations including van der Waals corrections, temperature-dependent polytypic diagram consistent the experimental observations is obtained. Results are easily interpreted based influence hexagonality both cohesive energy entropy. Temperature-dependent stacking faults also analyzed found be in...
A comprehensive study on the formation of micrometer‐sized, textured hexagonal diamond silicon (hd‐Si) crystals via nanoindentation followed by annealing is presented. Utilizing advanced characterization techniques such as polarized Raman spectroscopy, high‐resolution transmission electron microscopy, and energy‐loss successful transformation into high‐quality hd‐Si demonstrated. The experimental results are further supported first‐principles calculations molecular dynamics simulations....
We propose a sequential Al<sub>2</sub>O<sub>3</sub> encapsulation of silicene as solution to degradation, that can be extended the general case epitaxial Xenes on substrates.
Abstract The outbreak of the COVID-19 pandemic has led to a disruption surgical care. aim this multi-centric, retrospective study was evaluate impact on activity for thyroid disease among Italian Units Endocrine Surgery. Three phases were identified based epidemiological situation and public measures adopted from Government (1st phase: 9th March 3rd May 2020; 2nd 4th 14th June; 15th June 31st). patients operated upon during these compared those who underwent surgery same period previous...
The growth of Sn-rich group-IV semiconductors at the nanoscale can enrich understanding fundamental properties metastable GeSn alloys. Here, we demonstrate effect conditions on morphology and composition Ge/GeSn core/shell nanowires by correlating experimental observations with a theoretical interpretation based multiscale approach. We show that cross-sectional changes from hexagonal to dodecagonal upon increasing supply Sn precursor. This transformation strongly influences distribution as...
Dislocation complexes are identified as killer defects in 3C-SiC/Si(001) by a synergistic approach of molecular dynamics and <italic>ab initio</italic> simulations.
An important issue in the technology of cubic SiC (3C–SiC) material for electronic device applications is to understand behavior extended defects such as partial dislocation complexes and stacking faults (SFs). Atomistic simulations using molecular dynamics (MD) are an efficient tool tackle this large systems at comparatively low computation cost. At this, proper choice MD potential imperative ensure reliability simulation predictions. In work, we compare evolution 3C–SiC obtained by with...