Search Results - "Ulian, Gianfranco"

Facile band gap tuning in graphene–brucite heterojunctions by Ulian, Gianfranco, Valdrè, Giovanni

“…The zero band gap of pure graphene is a well-known issue that limits some specific applications of graphene in opto- and microelectronics. This led to several…”
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The effect of long-range interactions on the infrared and Raman spectra of aragonite (CaCO3, Pmcn) up to 25 GPa by Ulian, Gianfranco, Valdrè, Giovanni

“…Long-range interactions are relevant in the physical description of materials, even for those where other stronger bonds give the leading contributions. In…”
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Study of the variation of the optical properties of calcite with applied stress, useful for specific rock and material mechanics by Ulian, Gianfranco, Valdrè, Giovanni

“…Calcite (CaCO 3 , trigonal crystal system, space group R 3 ¯ c ) is a ubiquitous carbonate phase commonly found on the Earth’s crust that finds many useful…”
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Dataset on the crystallographic, vibrational, and electronic properties of 1M-phlogopite K(Mg,Fe)3(Si3Al)O10(OH)2 obtained from Density Functional Theory investigations by Ulian, Gianfranco, Valdrè, Giovanni

“…The present work reports a dataset on the crystal structure, optical properties (complex dielectric function and refractive index), infrared, reflectance and…”
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Structural and Elastic Behaviour of Sodalite Na8(Al6Si6O24)Cl2 at High-Pressure by First-Principle Simulations by Gianfranco Ulian, Giovanni Valdrè

“…Sodalite Na8(Al6Si6O24)Cl2 (space group P 4¯ 3n ) is an important mineral belonging to the zeolite group, with several and manyfold fundamental and…”
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Hydroxylapatite and Related Minerals in Bone and Dental Tissues: Structural, Spectroscopic and Mechanical Properties from a Computational Perspective by Ulian, Gianfranco, Moro, Daniele, Valdrè, Giovanni

“…Hard tissues (e.g., bone, enamel, dentin) in vertebrates perform various and different functions, from sustaining the body to haematopoiesis. Such complex and…”
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Photodegradation of Bamboo: A Study on Changes in Mechanical Performances by Greco, Silvia, Manzi, Stefania, Molari, Luisa, Saccani, Andrea, Ulian, Gianfranco, Valdrè, Giovanni

“…One of the main concerns in using natural materials in construction, such as bamboo, regards their durability. Ultra violet (UV)irradiation is claimed as a…”
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DFT Simulation of the Water Molecule Interaction with the (00l) Surface of Montmorillonite by Gianfranco Ulian, Daniele Moro, Giovanni Valdrè

“…Montmorillonite is one of the principal mineralogical phases in clay minerals, where its interaction with water and other molecules represents one of the most…”
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Elastic properties of heterodesmic composite structures: The case of calcite CaCO3 (space group R3¯c) by Ulian, Gianfranco, Moro, Daniele, Valdrè, Giovanni

“…•Calcite CaCO3 (trigonal crystal system) is an heterodesmic composite-like structure.•Theoretical simulations performed within Density Functional Theory (DFT)…”
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Thermodynamic and thermoelastic data of georesources raw minerals: Zinc sulphide and apatite by Ulian, Gianfranco, Valdrè, Giovanni

“…This article reports a dataset on the thermodynamic and elastic properties of two important raw minerals exploited in georesources and ore mining. The…”
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Monte Carlo strategy for SEM-EDS micro-nanoanalysis of geopolymer composites by Moro, Daniele, Ulian, Gianfranco, Valdrè, Giovanni

“…The development, optimization and application of new geopolymer composite materials must necessarily go through a precise and accurate physico-chemical and…”
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Fibre-Reinforced Geopolymer Composites Micro-Nanochemistry by SEM-EDS Simulations by Daniele Moro, Gianfranco Ulian, Giovanni Valdrè

“…The focus of the present study is on fibre-reinforced geopolymer composites, whose optimization and application necessarily need a detailed chemical…”
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Raman spectroscopic investigation on the molecular structure of apatite and collagen in osteoporotic cortical bone by Pezzotti, Giuseppe, Rondinella, Alfredo, Marin, Elia, Zhu, Wenliang, Aldini, Nicolò Nicoli, Ulian, Gianfranco, Valdrè, Giovanni

“…This study employed highly spectrally resolved Raman spectroscopy to examine the molecular composition of cortical bone tissue obtained from murine females in…”
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Anisotropy and directional elastic behavior data obtained from the second-order elastic constants of portlandite Ca(OH)2 and brucite Mg(OH)2 by Ulian, Gianfranco, Valdrè, Giovanni

“…This article reports data on the anisotropy and directional elastic behavior, namely Young׳s modulus E, linear compressibility β, shear modulus μ, Poisson׳s…”
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In Vitro Comparison of Root Surface Treatment Effect between Root Scaling with Ultrasonic Inserts and Gracey Curette and Polishing with Different Cleaning Pastes by Bertacci, Angelica, Moro, Daniele, Ulian, Gianfranco, Valdrè, Giovanni

“…The aim of this study was the morphological evaluation of root surfaces subjected to manual (curette) and ultrasonic (conventional and diamond tips) scaling…”
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Crystal-chemical and structural data related to the equation of state and second-order elastic constants of portlandite Ca(OH)2 and brucite Mg(OH)2 by Ulian, Gianfranco, Valdrè, Giovanni

“…This data article reports crystal-chemical and structural data (unit cell parameters and internal coordinates) of two hydroxyl minerals, namely brucite…”
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Simulated infrared and Raman spectroscopy, complex dielectric function and refractive index dataset of monoclinic C2/m stoichiometric clinochlore Mg6Si4O10(OH)8 as obtained from Density Functional Theory by Ulian, Gianfranco, Moro, Daniele, Valdrè, Giovanni

“…This article reports a simulated dataset of the vibrational (infrared and Raman) and optical properties (complex dielectric function and refractive index) of…”
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Monte Carlo SEM-EDS Nano-Microanalysis Strategy of Historical Mineral Pigments: The Simulation of the Egyptian Blue from Pompeii (Italy) as an Example by Domingo Martín, Daniele Moro, Gianfranco Ulian, Giovanni Valdrè

“…A correct determination of the mineral and chemical composition of specimens is of the utmost importance to answer questions regarding the Cultural Heritage…”
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Dataset on the piezo-spectroscopic behaviour of hydroxylapatite: Effect of mechanical stress on the Raman and Infrared vibrational bands from ab initio quantum mechanical simulations by Ulian, Gianfranco, Valdrè, Giovanni

“…This article reports data on the vibrational (Raman and Infrared) behavior of hydroxylapatite [OHAp, Ca10(PO4)6(OH)2, space group P63] under mechanical stress,…”
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Development of A Nano-Apatite Based Composite Sealer for Endodontic Root Canal Filling by Angelica Bertacci, Daniele Moro, Gianfranco Ulian, Giovanni Valdrè

“…Recently, endodontic sealers based on injectable bioactive materials were proposed to improve the filling of anatomical irregularities during root canal…”
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