Lista de obras - Alessandra Catellani - Dominio Público Uruguay

Ab Initio Exploration of Rearrangement Reactions: Intramolecular Hydrogen Scrambling Processes in Acetone

artículo científico publicado en 2006

Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution

article

Ab initio investigation of the adsorption of organic molecules at Si(111) and Si(100) surfaces

Ab initio simulations of homoepitaxial SiC growth.

artículo científico publicado en 2003

Ab initio study of the spontaneous polarization of pyroelectric BeO

scientific article published on 01 April 1990

Acoustic-wave transmission in semiconductor superlattices

artículo científico publicado en 1988

Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO(101̅0) Surface for Optoelectronic Applications ⬇️

artículo científico publicado el 28 de marzo de 2011

Atomic control of water interaction with biocompatible surfaces: the case of SiC(001)

scientific article published on 02 July 2004

Bulk and surface electronic structure of hexagonal boron nitride

artículo científico publicado en 1987

Charge Separation in the Hybrid CdSe Nanocrystal–Organic Interface: Role of the Ligands Studied by Ultrafast Spectroscopy and Density Functional Theory

article

Codoping and Interstitial Deactivation in the Control of Amphoteric Li Dopant in ZnO for the Realization of p-Type TCOs.

artículo científico publicado en 2017

Comment on “Adsorption of hydrogen and hydrocarbon molecules on SiC(001)” by Pollmann et al. (Surf. Sci. Rep. 69 (2014) 55–104)

Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study

Conflicting effect of chemical doping on the thermoelectric response of ordered PEDOT aggregates

artículo científico publicado en 2018

Direct Determination of Polarity, Faceting, and Core Location in Colloidal Core/Shell Wurtzite Semiconductor Nanocrystals

artículo científico publicado en 2012

Electronic interlayer states in hexagonal boron nitride

artículo científico publicado en 1985

Erratum: Electronic interlayer states in hexagonal boron nitride

artículo científico publicado en 1986

Generalization of the k

artículo científico publicado en 1996

Hydration of cyanin dyes.

artículo científico publicado en 2010

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations

artículo científico publicado en 2005

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

artículo científico publicado en 2010

Hyperbolic Metamaterials with Extreme Mechanical Hardness

artículo científico publicado en 2021

Islands at semiconductor interfaces

artículo científico publicado en 1992

New energy with ZnS: novel applications for a standard transparent compound.

artículo científico publicado en 2017

Optoelectronic properties of natural cyanin dyes.

artículo científico publicado en 2009

Origin of the accumulation layer at the InN/a-In2O3 interface

artículo científico publicado en 2015

Piezoelectric properties of zinc oxide nanowires: an ab initio study

artículo científico publicado en 2013

S-induced modifications of the optoelectronic properties of ZnO mesoporous nanobelts.

artículo científico publicado en 2016

Shear Piezoelectricity in Poly(vinylidenefluoride-co-trifluoroethylene): Full Piezotensor Coefficients by Molecular Modeling, Biaxial Transverse Response, and Use in Suspended Energy-Harvesting Nanostructures.

artículo científico publicado en 2016

Spectroscopic identification of the chemical interplay between defects and dopants in Al-doped ZnO.

artículo científico publicado en 2017

Tailoring the electronic properties of silicon with cysteine: A first-principles study

scholarly article in Physical Review B, vol. 72 no. 24, December 2005

Towards SiC surface functionalization: an ab initio study.

artículo científico publicado en 2005

VO2 as a natural optical metamaterial.

artículo científico publicado en 2018

Water at a hydrophilic solid surface probed by ab initio molecular dynamics: inhomogeneous thin layers of dense fluid

scientific article published on 01 May 2005

Wetting behavior of low-index cubic SiC surfaces

scientific article published on 01 January 2006

Zn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructures

artículo científico publicado en 2014

Lista de obras de Alessandra Catellani

Ab Initio Exploration of Rearrangement Reactions: Intramolecular Hydrogen Scrambling Processes in Acetone

Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution

Ab initio investigation of the adsorption of organic molecules at Si(111) and Si(100) surfaces

Ab initio simulations of homoepitaxial SiC growth.

Ab initio study of the spontaneous polarization of pyroelectric BeO

Acoustic-wave transmission in semiconductor superlattices

Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO(101̅0) Surface for Optoelectronic Applications ⬇️

Atomic control of water interaction with biocompatible surfaces: the case of SiC(001)

Bulk and surface electronic structure of hexagonal boron nitride

Charge Separation in the Hybrid CdSe Nanocrystal–Organic Interface: Role of the Ligands Studied by Ultrafast Spectroscopy and Density Functional Theory

Codoping and Interstitial Deactivation in the Control of Amphoteric Li Dopant in ZnO for the Realization of p-Type TCOs.

Comment on “Adsorption of hydrogen and hydrocarbon molecules on SiC(001)” by Pollmann et al. (Surf. Sci. Rep. 69 (2014) 55–104)

Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study

Conflicting effect of chemical doping on the thermoelectric response of ordered PEDOT aggregates

Direct Determination of Polarity, Faceting, and Core Location in Colloidal Core/Shell Wurtzite Semiconductor Nanocrystals

Electronic interlayer states in hexagonal boron nitride

Erratum: Electronic interlayer states in hexagonal boron nitride

Generalization of the k

Hydration of cyanin dyes.

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

Hyperbolic Metamaterials with Extreme Mechanical Hardness

Islands at semiconductor interfaces

New energy with ZnS: novel applications for a standard transparent compound.

Optoelectronic properties of natural cyanin dyes.

Origin of the accumulation layer at the InN/a-In2O3 interface

Piezoelectric properties of zinc oxide nanowires: an ab initio study

S-induced modifications of the optoelectronic properties of ZnO mesoporous nanobelts.

Shear Piezoelectricity in Poly(vinylidenefluoride-co-trifluoroethylene): Full Piezotensor Coefficients by Molecular Modeling, Biaxial Transverse Response, and Use in Suspended Energy-Harvesting Nanostructures.

Spectroscopic identification of the chemical interplay between defects and dopants in Al-doped ZnO.

Tailoring the electronic properties of silicon with cysteine: A first-principles study

Towards SiC surface functionalization: an ab initio study.

VO2 as a natural optical metamaterial.

Water at a hydrophilic solid surface probed by ab initio molecular dynamics: inhomogeneous thin layers of dense fluid

Wetting behavior of low-index cubic SiC surfaces

Zn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructures