Adriano Mosca Conte

Adriano Mosca Conte
INFN - Istituto Nazionale di Fisica Nucleare | INFN · Rome II

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34
Publications
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918
Citations

Publications

Publications (34)
Article
We report a non-invasive and multi-analytical physico-chemical method for the characterization of paper artworks, able to identify sizing, inks, and glues and to quantify oxidative degradation by-products. The proposed methodology is mostly carried out in situ by using easy-to-use and cheap portable instrumentation for the acquisition of multispect...
Conference Paper
Full-text available
THz time-domain spectroscopy (THz-TDS) is a suitable approach to study the state of preservation of cultural heritage made of organic materials in a non-destructive way. This technique highlights, in particular, the low-energy vibrational properties of these materials and the presence of the H-bonds between molecules [1]. We focus in particular on...
Article
This study focuses on the temporal stability of insulation paper used in power transformers and intends to provide reliable and comprehensive estimators for the assessment of paper degradation state. To achieve the objectives artificially aged model papers were investigated along with power transformers insulation papers, by means of Size Exclusion...
Article
The discoloration of paper, due to the development of oxidized groups acting as chromophores in its chief component, cellulose, is responsible for severe visual degradation of works of art on paper. By adopting a diagnostic method based on in situ non-invasive optical reflectance spectroscopy and time-dependent density functional theory ab initio c...
Article
In this work we have studied the terahertz spectra of modern artificially aged and ancient paper samples using terahertz time-domain spectroscopy. Hydrothermal artificial aging was performed in closed and open reactors. Ancient paper samples were produced during the 15th century in European countries. The main aim of the work is the quantitative as...
Article
Disposable non-invasive and compatible real time monitoring tool was developed in order to follow the cleaning process of paper artwork directly in situ. This tool was based on a biocompatible cleaning hydrogel coupled with flow electrochemical diagnostic tool, suitable to verify in situ and in a simple way the assessment of degradation of artwork...
Article
Full-text available
We investigate electronic and optical properties of the topological Weyl semimetals TaAs, TaP, NbAs and NbP crystallizing in bct geometry by means of the ab initio density functional theory with spin-orbit interaction within the independent-particle approximation. The small energetical overlap of Ta5d or Nb4d derived conduction and valence bands le...
Article
We present the electromagnetic scattering theory for a finite-length nanowire with an embedded mesoscopic object. The theory is based on a synthesis of the integral equation technique of classical electrodynamics and the quantum transport formalism. We formulate Hallén-type integral equations, where the canonical integral operators from wire antenn...
Article
Artifacts made of cellulose, such as ancient documents, pose a significant experimental challenge in the terahertz transmission spectra interpretation due to their small optical thickness. In this paper, we describe a method to recover the complex refractive index of cellulose fibers from the terahertz transmission data obtained on single freely st...
Article
Full-text available
Using ab initio density functional theory the band structure and the dielectric function of a bct Cd3As2 crystal are calculated. We find a Dirac semimetal with two Dirac nodes k± near the Γ point on the tetragonal axis. The bands near the Fermi level exhibit a linear behavior. The resulting Dirac cones are anisotropic and the electron-hole symmetry...
Article
Full-text available
We study the electronic properties of two-dimensional (2D) group-III nitrides BN, AlN, GaN, InN, and TlN by first-principles approaches. With increasing group-III atomic number, a decrease of the electronic gap from 6.7 eV to 0 eV takes place. 2D GaN and 2D InN in honeycomb geometry present a direct gap at Γ, while the honeycomb structures of BN an...
Article
The magnetism of graphone, a single-side-hydrogenated graphene derivative, has been related to the localized and unpaired p-electrons associated with the unhydrogenated carbon atoms. In the present density functional theory study, the effects the adhesion to either Cu(111) or α-quartz (0001) surface on the magnetic properties of graphone have been...
Article
The discoloration of ancient paper, due to the development of oxidized groups acting as chromophores in its chief component, cellulose, is responsible for severe visual degradation in ancient artifacts. By adopting a non-destructive approach based on the combination of optical reflectance measurements and time-dependent density functional theory ab...
Article
Paper is an important material for many applications. During the centuries, it has been the most widely used writing support and therefore paper degradation is a major issue for cultural heritage. The main component of paper is cellulose, one of the most abundant biomaterials on Earth. Cellulose oxidation is mainly responsible for the yellowing of...
Article
In this paper, we present a new noninvasive and nondestructive approach to recover scattering and absorption coefficients from reflectance measurements of highly absorbing and optically inhomogeneous media. Our approach is based on the Yang and Miklavcic theoretical model of light propagation through turbid media, which is a generalization of the K...
Article
We review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study th...
Article
The Si(111)2×1 is among the most investigated surfaces. Nonetheless, several issues are still not understood. Its reconstruction is well explained in terms of the Pandey model with a slight buckling (tilting) of the topmost atoms; two different isomers of the surface, conventionally named positive and negative buckling, exist. Usually, scanning tun...
Article
Paper is the most widely used writing support due to the remarkable properties of its principal component - cellulose - one of the most abundant biomaterials present on Earth. However, due to the complexity of the material, an exhaustive picture of its degradation pathways is still missing. In this paper, we will present recent results and progress...
Article
The Si(111)2×1 is one of the most studied surfaces. Its reconstruction is described by the Pandey model with a buckling of the topmost atoms. With relation to the sign of the buckling, there are two slightly different geometric structures (isomers), conventionally named positive buckling and negative buckling. STM measurements suggest that the posi...
Article
The yellowing of paper on aging causes major aesthetic damages of cultural heritage. It is due to cellulose oxidation, a complex process with many possible products still to be clarified. By comparing ultraviolet-visible reflectance spectra of ancient and artificially aged modern papers with ab initio time-dependent density functional theory calcul...
Article
Spectral properties of chromophores are used to probe complex biological processes in vitro and in vivo, yet how the environment tunes their optical properties is far from being fully understood. Here we present a method to calculate such properties on large scale systems, like biologically relevant molecules in aqueous solution. Our approach is ba...
Article
Optical properties of aromatic chromophores are used to probe complex biological processes, yet how the environment tunes their optical properties is far from being fully understood. Here we present a method to calculate such properties on large-scale systems, like biologically relevant molecules in aqueous solution. Our approach is based on many-b...
Article
We present ab initio calculations of the properties of indole in water. Indole and water are first studied separately and then in solution. Calculations are performed within DFT and in the framework of many-body Green's function formalism. The geometries are determined by classical and mixed quantum-classical dynamics The optical-absorption spectra...
Article
Full-text available
The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure an...
Article
The electronic, structural, and magnetic properties of Co-based low-dimensional nanostructures supported by Pt surfaces are investigated using computer simulations based on density functional theory. The effects of the local orientation of the magnetization, including the magnetic anisotropy energy, are accounted for within a noncollinear spin-dens...
Article
We show how to include the spin-orbit coupling in electronic structure calculations of crystalline solids based on plane waves and ultrasoft pseudopotentials. The spin-orbit split electronic band structures of fcc-Au and of fcc-Pt are calculated by fully relativistic pseudopotentials derived from an atomic Dirac-like equation. The results are compa...

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