[HTML][HTML] 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 …

Elucidating the photocatalytic degradation pathway of acetaldehyde: An FTIR in situ study under atmospheric conditions

B Hauchecorne, D Terrens, S Verbruggen… - Applied Catalysis B …, 2011 - Elsevier
In this paper, new insights of the photocatalytic oxidation pathway of acetaldehyde are
obtained by means of an in-house constructed FTIR in situ reactor. It is shown that there are …

[HTML][HTML] Photoactivation of titanium-oxo cluster [Ti 6 O 6 (OR) 6 (O 2 C t Bu) 6]: mechanism, photoactivated structures, and onward reactivity with O 2 to a peroxide …

SE Brown, I Mantaloufa, RT Andrews, TJ Barnes… - Chemical …, 2023 - pubs.rsc.org
The molecular titanium-oxo cluster [Ti6O6 (OiPr) 6 (O2CtBu) 6](1) can be photoactivated by
UV light, resulting in a deeply coloured mixed valent (photoreduced) Ti (III/IV) cluster …

Existence of both blue-shifting hydrogen bond and Lewis acid–base interaction in the complexes of carbonyls and thiocarbonyls with carbon dioxide

NT Trung, NP Hung, TT Hue, MT Nguyen - Physical Chemistry …, 2011 - pubs.rsc.org
In this study, 16 gas phase complexes of the pairs of XCHZ and CO2 (X= F, Cl, Br; Z= O, S)
have been identified. Interaction energies calculated at the CCSD (T)/aug-cc …

Interaction of titanium oxide nanostructures with graphene and functionalized graphene nanoribbons: a DFT study

S Ayissi, PA Charpentier, N Farhangi… - The Journal of …, 2013 - ACS Publications
Graphene substrates are known to have randomly located functional groups on their
surface, particularly at their edges, including carboxylate, carbonyl, epoxy, and alcohol …

A well-engineered two-dimensional coral-like architecture CNWO3 for the effective removal of volatile organic compounds from indoor air

MR Asrami, M Jourshabani, BK Lee - Chemical Engineering Journal, 2024 - Elsevier
One of the promising strategies to enhance the photocatalytic performance of graphitic
carbon nitride (CN) is to establish 2D photocatalysts with boosted morphology and adjusted …

Impacts of Organic Ligands on Forsterite Reactivity in Supercritical CO2 Fluids

QRS Miller, JP Kaszuba, HT Schaef… - Environmental …, 2015 - ACS Publications
Subsurface injection of CO2 for enhanced hydrocarbon recovery, hydraulic fracturing of
unconventional reservoirs, and geologic carbon sequestration produces a complex …

Peroxymonosulfate-based catalytic degradation of reactive dyes in real wastewater by Fe/N-codoped carbocatalysts loaded on carbon cloth

L Yang, W Yang, C Fu, Y Li… - Textile Research …, 2023 - journals.sagepub.com
This study simulated actual dyeing wastewater in dyeing factories with three types of dyeing
wastewaters from laboratory cotton fabric dyeing to investigate the effects of catalyst and …

Understanding interaction capacity of CO2 with organic compounds at molecular level: a theoretical approach

PN Khanh, NT Trung - Carbon dioxide chemistry, capture and oil …, 2018 - books.google.com
In this chapter, lar level are interactions discussed in of detail. CO The 2 with a number of
organic compounds at molecunaked and substituted hydrocarbons along with compounds …