Results 41 to 50 of about 70,167 (257)
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
One-pot Synthesis of Pt Catalysts Supported on Al-modified TiO2
Bulletin of Chemical Reaction Engineering & Catalysis, 2014 A facile, industrially viable, one-pot synthesis of 0.5-8 wt% Pt supported on 22 mol% Al-modified ana-tase with high surface area and thermal stability is presented.
Rebecca E. Olsen +3 more
doaj +1 more source
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
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
Solid solutions of rare earth cations in mesoporous anatase beads and their performances in dye-sensitized solar cells [PDF]
, 2015 Solid solutions of the rare earth (RE) cations Pr3+, Nd3+, Sm3+, Gd3+, Er3+ and Yb3+ in anatase TiO2 have been synthesized as mesoporous beads in the concentration range 0.1-0.3% of metal atoms.
Cavallo, Carmen +6 more
core +1 more source
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
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
Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems
Advanced Functional Materials, EarlyView.MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley +1 more source
, 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