A5035993700- Graphene research and applications
- Advanced Chemical Physics Studies
- Atomic and Molecular Physics
- Electron and X-Ray Spectroscopy Techniques
- Diamond and Carbon-based Materials Research
- Semiconductor materials and devices
- Boron and Carbon Nanomaterials Research
- X-ray Spectroscopy and Fluorescence Analysis
- Nuclear physics research studies
- Carbon Nanotubes in Composites
- Spectroscopy and Quantum Chemical Studies
- Advanced Materials Characterization Techniques
- Ion-surface interactions and analysis
- Stellar, planetary, and galactic studies
- Fullerene Chemistry and Applications
- Metal-Organic Frameworks: Synthesis and Applications
- High-pressure geophysics and materials
- Astro and Planetary Science
- 2D Materials and Applications
- Advancements in Battery Materials
- Force Microscopy Techniques and Applications
- Electronic and Structural Properties of Oxides
- Radiation Therapy and Dosimetry
- Covalent Organic Framework Applications
- Atmospheric Ozone and Climate
European Centre for Theoretical Studies in Nuclear Physics and Related Areas
2016-2025
Istituto Nazionale di Fisica Nucleare, Trento Institute for Fundamental Physics And Applications
2016-2025
Fondazione Bruno Kessler
2017-2024
Gdańsk University of Technology
2022-2023
Peter the Great St. Petersburg Polytechnic University
2020-2022
Charles University
2015-2020
Istituto Nazionale di Fisica Nucleare, Sezione di Perugia
2012-2016
University of Bologna
2003-2016
Kessler Foundation
2014-2016
Istituto Nazionale di Fisica Nucleare
2014-2015
We show by angle-resolved photoemission spectroscopy that a tunable gap in quasi-free-standing monolayer graphene on Au can be induced hydrogenation. The size of the controlled via hydrogen loading and reaches approximately 1.0 eV for coverage 8%. local rehybridization from sp(2) to sp(3) chemical bonding is observed X-ray photoelectron absorption allows determination amount chemisorbed hydrogen. formation completely reversible annealing without damaging graphene. Calculations dependent core...
We combine sub-20 fs transient absorption spectroscopy with state-of-the-art computations to study the ultrafast photoinduced dynamics of trans-azobenzene (AB). are able resolve lifetime ππ* state, whose decay within ca. 50 is correlated buildup nπ* population and emergence coherences in dynamics, date unobserved. Nonlinear simulations call for CNN in-plane bendings as active modes subps coherent out state. Radiative kinetic energy transfer into these drives system a high-energy planar...
We report on the first-principles calculation of melting curve Ta in pressure range $0--300\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. The calculations have been performed using density functional theory (DFT) with generalized gradient corrections and projector augmented wave method. has evaluated method coexistence phases, help an auxiliary reference potential. obtained potential then corrected free energy differences between DFT potential, so as to obtain curve. results are good agreement...
Nonlinear electronic spectroscopies represent one of the most powerful techniques to study complex multichromophoric architectures. For these systems, in fact, linear spectra are too congested be used disentangle many coupled vibroelectronic processes that activated. By using a 2D approach, instead, clear picture can achieved, but only when recorded combined with proper interpretative model. So far, this has been almost always achieved through parametrized exciton Hamiltonians necessarily...
Spider silk has promising mechanical properties, since it conjugates high strength (~1.5 GPa) and toughness (~150 J g−1). Here, we report the production of incorporating graphene carbon nanotubes by spider spinning, after feeding spiders with corresponding aqueous dispersions. We observe an increment properties respect to pristine silk, up a fracture ~5.4 GPa modulus ~1570 g−1. This approach could be extended other biological systems lead new class artificially modified biological, or...
Abstract The estimate of the total electron yield is fundamental for our understanding test-mass charging associated with cosmic rays in Laser Interferometer Space Antenna (LISA) Pathfinder mission and forthcoming gravitational wave observatory LISA. To unveil role low energy electrons this process owing to galactic solar energetic particle events, work we study interaction keV sub-keV a gold slab using mixed Monte Carlo (MC) ab-initio framework. We determine spectrum emerging from such hit...
Theoretical predictions as well experiments performed at storage rings have shown that the lifetimes of β-radionuclides can change significantly a function ionization state. In this paper we describe an innovative approach, based on use compact plasma trap to emulate selected stellar-like conditions. It has been proposed within PANDORA project (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation Archaeometry) with aim measure, first time in plasma, nuclear β-decay rates...
We show with angle-resolved photoemission spectroscopy that a new energy band appears in the electronic structure of electron-doped hydrogenated monolayer graphene (H-graphene). Its occupation can be controlled hydrogen amount and allows for tuning graphene's doping level. Our calculations H-graphene suggest this state is largely composed 1$s$ orbitals remains extended low H coverages despite random chemisorption H. Further evidence existence provided by x-ray absorption studies undoped...
Electronic band gaps for optically allowed transitions are calculated a series of semiconducting single-walled zig-zag carbon nanotubes increasing diameter within the many-body perturbation theory GW method. The dependence evaluated with respect to tube diameters is then compared those found from previous experimental data optical combined theoretical estimations exciton binding energies. We find that our confirm behavior inferred experiment. relationship between electronic gap and...
Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500–3700 cm−1 and 1100–1900 regions. Minimum energy structures have determined by density functional theory calculations using plane waves pseudopotentials. In particular, copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms alkenyl moiety closest carbons adjoining resorcinol ring. For these geometries...
Recent models for evolved Low Mass Stars (with $M \lesssim 3M_\odot$), undergoing the AGB phase assume that magnetic flux-tube buoyancy drives formation of $^{13}$C reservoirs in He-rich layers. We illustrate their crucial properties, showing how low abundance generated below convective envelope hampers primary $^{14}$N and ensuing synthesis intermediate-mass nuclei, like $^{19}$F $^{22}$Ne. In mentioned models, production is therefore a purely secondary nature. Shortage $^{22}$Ne has also...
This study investigates the emission of cations from silica samples by single-cycle THz pulses, focusing on influence pulse polarity. Negative pulses were found to efficiently trigger evaporation nanoneedles in amorphous compared positive pulses. Conversely, this dependence polarity is strongly reduced and reversed with metallic behavior such as LaB6 could not be when multicycle different frequency ranges ultraviolet (UV) are used. First-principles simulations focus under laser irradiation...
High-resolution imaging has revolutionized materials science by offering detailed insights into the atomic structures of materials. Electron microscopy and spectroscopy rely on analysing backscat- tered transmitted electrons as well...
Ab initio calculations of the melting curve molybdenum for pressure range 0-400 GPa are reported. The employ density functional theory (DFT) with Perdew-Burke-Ernzerhof exchange-correlation in projector augmented wave (PAW) implementation. Tests presented showing that these techniques accurately reproduce experimental data on low-temperature body-centered cubic (bcc) Mo, and PAW agrees closely results from full-potential linearized plane-wave work attempts to overcome uncertainties inherent...
We study the ballistic properties of two-dimensional (2D) materials upon hypervelocity impacts C60 fullerene molecules combining ab initio density functional tight binding and finite element simulations. The critical penetration energy monolayer membranes is determined using graphene 2D allotrope boron nitride as case studies. Furthermore, absorption scaling laws with a variable number layers interlayer spacing are investigated, for homogeneous or hybrid configurations (alternated stacking...
High kinetic energy impacts between inorganic surfaces and molecular beams seeded by organics represent a fundamental tool in materials science, particularly when they activate chemical–physical processes leading to nanocrystals' growth.
We analyze the $^{134}_{55}$Cs$\rightarrow^{134}_{56}$Ba and $^{135}_{55}$Cs$\rightarrow^{135}_{56}$Ba $\beta^-$ decays, which are crucial production channels for Ba isotopes in Asymptotic Giant Branch (AGB) stars. reckon, from relativistic quantum mechanis, effects of multichannel scattering onto weak including nuclear electronic excited states (ES) populated above $\simeq$ 10 keV, both parent daughter nuclei. find increases half-lives $T>10^8$ K (by more than a factor 3 $^{134}$Cs) as...
A mixed quantum mechanical and Monte Carlo method for calculating Auger spectra from nanoclusters is presented. The approach, based on a cluster method, consists of two steps. Ab initio calculations are first performed to obtain accurate energy probability distributions the generated electrons. In second step, using calculated line shape as electron source, used simulate effect inelastic losses original shape. resulting spectrum can be directly compared ``as-acquired'' experimental spectra,...
The surface photoelectron and inner shell electron spectroscopy (SURPRISES) program suite performs ab initio calculations of photoionization non-radiative decay spectra in nanoclusters solid state systems by using a space-energy similarity procedure to reproduce the band-like part spectra. This approach provides an extension Fano resonant multichannel scattering theory dealing with complexity arising from condensed matter at computational cost comparable that molecules. bottleneck is size...
The enrichment of Li in the universe is still unexplained, presenting various puzzles to astrophysics. One open issue that obtaining reliable estimates for rate e− captures on 7Be T and ρ conditions are different from solar ones. This crucial importance modeling Galactic nucleosynthesis Li. In this framework, we present here a new theoretical method calculating capture typical evolved stars. Furthermore, show how our approach compares with state-of-the-art techniques conditions, where...
In this work, we present a systematic and thorough comparison between gas adsorption energy storage properties in idealized or realistic models of organic-pillared reduced-graphene-oxide sheets. First, atomistic simulations based on density functional theory are used to generate the structures these novel systems. Second, Grand Canonical Monte Carlo is predict proposed frameworks case two different gases, notably hydrogen carbon dioxide. While one can safely conclude that strongly affected...