Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters

A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …

Synthesis of metal oxide nanostructures by direct sol–gel chemistry in supercritical fluids

R Sui, P Charpentier - Chemical reviews, 2012 - ACS Publications
Nanoscale metal oxides are of tremendous current interest to scientists and engineers
because of the potential of their emerging applications spanning from catalysts, sensors …

Synthesis of metal oxide nanoparticles in flame sprays: review on process technology, modeling, and diagnostics

F Meierhofer, U Fritsching - Energy & Fuels, 2021 - ACS Publications
The gas synthesis of nanoparticles has gained major interest by different industries and
research groups for the development of new materials and their subsequent implementation …

Modelling nano-clusters and nucleation

CRA Catlow, ST Bromley, S Hamad… - Physical Chemistry …, 2010 - pubs.rsc.org
We review the growing role of computational techniques in modelling the structures and
properties of nano-particulate oxides and sulphides. We describe the main methods …

Hydrolysis of TiCl4: Initial Steps in the Production of TiO2

TH Wang, AM Navarrete-López, S Li… - The Journal of …, 2010 - ACS Publications
The hydrolysis of titanium tetrachloride (TiCl4) to produce titanium dioxide (TiO2)
nanoparticles has been studied to provide insight into the mechanism for forming these …

Toward accurate theoretical thermochemistry of first row transition metal complexes

W Jiang, NJ DeYonker, JJ Determan… - The Journal of Physical …, 2012 - ACS Publications
The recently developed correlation consistent Composite Approach for transition metals
(ccCA-TM) was utilized to compute the thermochemical properties for a collection of 225 …

Combining density functional theory and CFD-PBM model to predict TiO2 nanoparticle evolution during chemical vapor deposition

W Liu, H Tang, D Liu - Chemical Engineering Journal, 2023 - Elsevier
Preparation of TiO 2 nanoparticles by TiCl 4 hydrolysis during chemical vapor deposition
(CVD) is one of the effective techniques for producing TiO 2 nanoparticles, while the …

The rise of trichlorides enabling an improved chlorine technology

M Kleoff, P Voßnacker, S Riedel - … Chemie International Edition, 2023 - Wiley Online Library
Chlorine plays a central role for the industrial production of numerous materials with global
relevance. More recently, polychlorides have been evolved from an area of academic …

Milestones in functional titanium dioxide thermal spray coatings: a review

M Gardon, JM Guilemany - Journal of Thermal Spray Technology, 2014 - Springer
Titanium dioxide has been the most investigated metal oxide due to its outstanding
performance in a wide range of applications, chemical stability and low cost. Coating …

Atomic layer deposition of TiO2 from TiCl4 and O3

L Aarik, T Arroval, R Rammula, H Mändar… - Thin Solid Films, 2013 - Elsevier
Atomic layer deposition (ALD) of thin films from TiCl 4 and O 3 on Si (100) substrates was
investigated. The growth of TiO 2 was obtained at substrate temperatures of 225–600° C …