Role of BaTiO3 crystal surfaces on the electronic properties, charge separation and visible light–response of the most active (001) surface of LaAlO3: A hybrid density functional study
Open Access
- 1 June 2023
- journal article
- research article
- Published by Elsevier BV in Chemical Physics Impact
Abstract
No abstract availableKeywords
This publication has 81 references indexed in Scilit:
- Photocatalytic hydrogen generation enhanced by band gap narrowing and improved charge carrier mobility in AgTaO3 by compensated co-dopingPhysical Chemistry Chemical Physics, 2013
- Hydrogen Production from Semiconductor-based Photocatalysis via Water SplittingCatalysts, 2012
- Facet-Mediated Photodegradation of Organic Dye over Hematite Architectures by Visible LightAngewandte Chemie, 2011
- Improving Dielectric Properties of BaTiO3/Ferroelectric Polymer Composites by Employing Surface Hydroxylated BaTiO3 NanoparticlesACS Applied Materials & Interfaces, 2011
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuThe Journal of Chemical Physics, 2010
- First-principles study on energetics of intrinsic point defects inPhysical Review B, 2009
- Solvothermal Synthesis and Photoreactivity of Anatase TiO2 Nanosheets with Dominant {001} FacetsJournal of the American Chemical Society, 2009
- Phonons and heat capacity of LaAlO3Computational Materials Science, 2008
- Pressure-induced phase transition in LaAlO3Journal of Physics: Condensed Matter, 2002
- Special points for Brillouin-zone integrationsPhysical Review B, 1976