Carlo Ruberto

2010

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

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

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

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

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

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

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

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

Density-functional bridge between surfaces and interfaces

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

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