First Principles Study of Single Wall TiO2Nanotubes Rolled by Anatase Monolayers

DFT modeling of anatase nanotubes

(2011) Anna Maria Ferrari et al.   JOURNAL OF MATERIALS CHEMISTRY

Anatase(001) 3 ML Nanotubes, The First TiO2 Nanotube With Negative Strain Energies: A DFT Prediction

(2010) Anna Maria Ferrari et al.   Journal of Physical Chemistry Letters

First Principles Study of Hydrated/Hydroxylated TiO2 Nanolayers: From Isolated Sheets to Stacks and Tubes

(2009) Maurizio Casarin et al.   ACS Nano

Ab initio modeling of TiO2 nanotubes

(2009) Dénes Szieberth et al.   Nanoscale

Structures, electronic properties, and hydrogen-storage capacity of single-walled TiO2 nanotubes

(2009) Jianguang Wang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

From anatase (101) surface to TiO2 nanotubes: Rolling procedure and first principles LCAO calculations

(2009) A.V. Bandura et al.   SURFACE SCIENCE

Theoretical Study of Hydrogen Abstraction and Sulfur Insertion in the Reaction H2S + S

(2008) Chenlai (Ryan) Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio modeling of TiO2 nanosheets

(2008) Andrea Vittadini et al.   THEORETICAL CHEMISTRY ACCOUNTS