Results 41 to 50 of about 69,846 (270)
Ab Initio Study of Phase Stability in Doped TiO2
, 2012 Ab-initio density functional theory (DFT) calculations of the relative stability of anatase and rutile polymorphs of TiO2 were carried using all-electron atomic orbitals methods with local density approximation (LDA).
Assadi, Mohammed H. N. +4 more
core +1 more source
All-inorganic core-shell silica-titania mesoporous colloidal nanoparticles showing orthogonal functionality [PDF]
, 2011 Colloidal mesoporous silica (CMS) nanoparticles with a thin titania-enriched outer shell showing a spatially resolved functionality were synthesized by a delayed co-condensation approach.
Abe +32 more
core +1 more source
Role of Quantum-Confinement in Anatase Nanosheets [PDF]
The Journal of Physical Chemistry Letters, 2017 This document is the Accepted Manuscript version of a Published Work that appeared in final form in J. Phys. Chem. Lett. copyright American Chemical Society after peer review and technical editing by the publisher.
Varsano, D +3 more
openaire +7 more sources
Acta Chimica Slovenica, 2017 The temperature dependence of the anatase-to-rutile phase transition of TiO2 powders and thin films was studied. In order to shift the phase transition to higher temperature, samples were doped with a different amount of phosphate ions and their ...
Uroš Prah, Irena Kozjek Škofic
doaj +1 more source
Anatase TiO$_2$ Nanowires Functionalized by Organic Sensitizers for Solar Cells : A Screened Coulomb Hybrid Density Functional Study [PDF]
, 2015 The adsorption of two different organic molecules cyanidin glucoside (C$_{21}$O$_{11}$H$_{20}$) and TA-St-CA on anatase (101) and (001) nanowires have been investigated using the standard and the range separated hybrid density functional theory ...
Ellialtioglu, Sinasi +4 more
core +2 more sources
NH3 adsorption on anatase-TiO2(101) [PDF]
The Journal of Chemical Physics, 2018 The adsorption of ammonia on anatase TiO2 is of fundamental importance for several catalytic applications of TiO2 and for probing acid-base interactions. Utilizing high-resolution scanning tunneling microscopy (STM), synchrotron X-ray photoelectron spectroscopy, temperature-programmed desorption (TPD), and density functional theory (DFT), we identify ...
Stig Koust +6 more
openaire +3 more sources
, 2012 Electronic properties and atomic structures of W, N, S, W/N, and W/S dopings of anatase TiO_2 have been systematically investigated using the density functional theory (DFT).
Mete, Ersen, Çelik, Veysel
core +1 more source
High-Pressure Study of Anatase TiO2 [PDF]
Materials, 2010 We report resistivity and thermo-electric power measurements of the anatase phase of TiO2under pressure up to 2.3 GPa. Despite its transparent appearance, the single crystal of anatase exhibits a metallic-like resistivity above 60 K, at all pressures.
Jaćimović, Jaćim +5 more
openaire +1 more source
Decoration of titania nanofibres with anatase nanoparticles as efficient photocatalysts for decomposing pesticides and phenols [PDF]
, 2012 Using a series of partial phase transitions, an effective photocatalyst with fibril morphology was prepared. The catalytic activities of these materials were tested against phenol and herbicide in water. Both H-titanate and TiO2-(B) fibres decorated with
Frost, Ray +3 more
core +2 more sources
Atomic Size Misfit for Electrocatalytic Small Molecule Activation
Advanced Functional Materials, EarlyView.This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong +3 more
wiley +1 more source