Carlo Ruberto

2010

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

Trends in bulk electron-structural features of rocksalt early transition-metal carbides

Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

Coarse-grained model for growth of α- and k-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

Nature of adsorption on TiC(111) investigated with density-functional calculations

Nature of Versatile Chemisorption on TiC(111) and TiN(111) Surfaces

Nature of Chemisorption on Titanium Carbide and Nitride

Nature of Bond between SiC and Graphite

Trends in Atomic Adsorption on Titanium Carbide and Nitride

One-dimensional electron systems for anchoring growth of carbon nanostructures

Surface properties of metastable alumina: A comparative study of κ- and α-Al2O3

Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface

Stability of a Flexible Polar Ionic Crystal Surface: Metastable Alumina and One-Dimensional Surface Metallicity

Bridging between micro- and macroscales of materials by mesoscopic models

Metastable Alumina from Theory: Bulk, Surface, and Growth of κ-Al2O3

Density-functional bridge between surfaces and interfaces

Theoretical Structure Determination of a Complex Material: κ-Al2O3

Bulk and surface structure of k alumina

First-principles calculations on the atomic and electronic structure of kappa-Al2O3