List of works - Alessandra Catellani

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

scientific article published on 01 December 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.

scientific article published on 23 September 2003

Ab initio study of the spontaneous polarization of pyroelectric BeO

scientific article published on 01 April 1990

Acoustic-wave transmission in semiconductor superlattices

scientific article published on 15 October 1988

Anchor group versus conjugation: toward the gap-state engineering of functionalized ZnO(1010) surface for optoelectronic applications

scientific article published on 28 March 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

scientific article published on 01 October 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.

scientific article published on 23 March 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

scientific article published in February 2018

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

scientific article published on 26 June 2012

Electronic interlayer states in hexagonal boron nitride

scientific article published on 01 November 1985

Erratum: Electronic interlayer states in hexagonal boron nitride

scientific article published on 01 October 1986

Generalization of the k

scientific article published on 01 February 1996

Hydration of cyanin dyes.

scientific article published in March 2010

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

scientific article published on 23 March 2005

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

scientific article published on 01 April 2010

Hyperbolic Metamaterials with Extreme Mechanical Hardness

scientific article published in 2021

Islands at semiconductor interfaces

scientific article published on 01 June 1992

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

scientific article published in December 2017

Optoelectronic properties of natural cyanin dyes.

scientific article published in July 2009

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

scientific article published on 26 February 2015

Piezoelectric properties of zinc oxide nanowires: an ab initio study

scientific article published on 31 October 2013

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

scientific article published on 15 June 2016

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

scientific article published on 30 June 2016

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

scientific article published on 27 October 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.

scientific article published in June 2005

VO2 as a natural optical metamaterial.

scientific article published in March 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

scientific article published on 04 June 2014

List of works by Alessandra Catellani