First-principles calculations of point defects in inorganic nanotubes

First-principles calculation of compensated (2N, W) codoping impacts on band gap engineering in anatase TiO2

(2012) Min Li et al.   CHEMICAL PHYSICS LETTERS

Jahn-Teller effect in the phonon properties of defective SrTiO3from first principles

(2012) Robert Evarestov et al.   PHYSICAL REVIEW B

TiO2 Nanotubes: Synthesis and Applications

(2011) Poulomi Roy et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First principle calculations of the electronic and optical properties of pure and (Mo, N) co-doped anatase TiO2

(2011) Matiullah Khan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural Defects in W-Doped TiO2 (101) Anatase Surface: Density Functional Study

(2011) Antonio M. Márquez et al.   Journal of Physical Chemistry C

Symmetry and Models of Double-Wall BN and TiO2 Nanotubes with Hexagonal Morphology

(2011) R. A. Evarestov et al.   Journal of Physical Chemistry C

SrTiO3 Nanotubes with Negative Strain Energy Predicted from First Principles

(2011) Sergei Piskunov et al.   Journal of Physical Chemistry Letters

Nb doped TiO2 nanotubes for enhanced photoelectrochemical water-splitting

(2011) Chittaranjan Das et al.   Nanoscale

Electronic coupling in iron oxide-modified TiO2 leads to a reduced band gap and charge separation for visible light active photocatalysis

(2011) Michael Nolan   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initiostudy on band-gap narrowing in SrTiO3with Nb-C-Nb codoping

(2011) Wu-Jun Shi et al.   PHYSICAL REVIEW B

Boron Nitride Nanotubes and Nanosheets

(2010) Dmitri Golberg et al.   ACS Nano

Gd3+, N-codoped trititanate nanotubes: Preparation, characterization and photocatalytic activity

(2010) Haijin Liu et al.   APPLIED SURFACE SCIENCE

Doped TiO2 and TiO2 Nanotubes: Synthesis and Applications

(2010) Yoon-Chae Nah et al.   CHEMPHYSCHEM

Ion and electron irradiation-induced effects in nanostructured materials

(2010) A. V. Krasheninnikov et al.   JOURNAL OF APPLIED PHYSICS

Perovskite oxide nanotubes: synthesis, structural characterization, properties and applications

(2010) Xinhua Zhu et al.   JOURNAL OF MATERIALS CHEMISTRY

Symmetry and Models of Single-Wall BN and TiO2 Nanotubes with Hexagonal Morphology

(2010) R. A. Evarestov et al.   Journal of Physical Chemistry C

Electronic and Optical Properties of Doped and Undoped (TiO2)n Nanoparticles

(2010) S. A. Shevlin et al.   Journal of Physical Chemistry C

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

Synthesis and Photocatalytic Activity of Highly Ordered TiO2 and SrTiO3/TiO2 Nanotube Arrays on Ti Substrates

(2010) Xuming Zhang et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Boron nitride nanotubes

(2010) Chunyi Zhi et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Titania nanotubes modeled from 3- and 6-layered (101) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations

(2010) R.A. Evarestov et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Tailored TiO2−SrTiO3 Heterostructure Nanotube Arrays for Improved Photoelectrochemical Performance

(2009) Jun Zhang et al.   ACS Nano

Atomic and electronic structure of single-walled BN nanotubes containing N vacancies as well as C and O substitutes of N atoms

(2009) Y. F. Zhukovskii et al.   EUROPEAN PHYSICAL JOURNAL B

Ab initio simulations on the atomic and electronic structure of single-walled BN nanotubes and nanoarches

(2009) Yuri F. Zhukovskii et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

A comparative ab initio study of bulk and surface oxygen vacancies in PbTiO3, PbZrO3 and SrTiO3 perovskites

(2009) Yu.F. Zhukovskii et al.   SOLID STATE COMMUNICATIONS

Electronic structure of BN nanotubes with intrinsic defects NB and BN and isoelectronic substitutional impurities PN, AsN, SbN, InB, GaB, and AlB

(2008) P.N. D’yachkov et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy

(2008) D A Evans et al.   JOURNAL OF PHYSICS-CONDENSED MATTER