Molecular geometries and relative stabilities of titanium oxide and gold-titanium oxide clusters

Hudson, Rohan J.; Falcinella, Alexander J.; Metha, Gregory F.

doi:10.1016/j.chemphys.2016.08.006

Cited by 7 publications

(1 citation statement)

References 62 publications

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“…Sub-nm titanium oxide clusters form hollow cage-like geometries 33,34 that are different from the bulk lattice structure. The cluster geometries and electronic structures were calculated using time-dependent density functional theory and CAM-B3LYP functional as described in detail in other publications.…”

Section: Titanium Oxide Cluster Distributionmentioning

confidence: 99%

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters

Garcia

Heald

shaffer

et al. 2021

The Journal of Chemical Physics

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Excited state lifetimes of neutral titanium oxide clusters (TinO2n-x, n < 10, x < 4) were measured using a sequence of 400 nm pump and 800 nm probe femtosecond laser pulses. Despite large differences in electronic properties between the closed shell stoichiometric TinO2n clusters and the suboxide TinO2n-x (x = 1-3) clusters, the transient responses for all clusters contain a fast response of 35 fs followed by a sub-picosecond excited state lifetime. In this non-scalable size regime, subtle changes in the sub-ps lifetimes are attributed to variations in the coordination of Ti atoms and localization of charge carriers following UV photoexcitation. In general, clusters exhibit longer lifetimes with increased size and also with addition of O atoms. This suggests that removal of O atoms develops stronger Ti-Ti interactions as the system transitions from a semiconducting character into a fast metallic electronic relaxation mechanism.

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Section: Titanium Oxide Cluster Distributionmentioning

confidence: 99%

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters

Garcia

Heald

shaffer

et al. 2021

The Journal of Chemical Physics

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An enhanced ceramic conversion treatment of Ti6Al4V alloy surface by a pre-deposited thin gold layer

Zhang

et al. 2020

Journal of Alloys and Compounds

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Structural evolution, electronic properties and spectra of titanium clusters

Yin

Die

Yang

2022

Physica B: Condensed Matter

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Molecular geometries and relative stabilities of titanium oxide and gold-titanium oxide clusters

Cited by 7 publications

References 62 publications

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters

An enhanced ceramic conversion treatment of Ti6Al4V alloy surface by a pre-deposited thin gold layer

Structural evolution, electronic properties and spectra of titanium clusters

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Molecular geometries and relative stabilities of titanium oxide and gold-titanium oxide clusters

Cited by 7 publications

References 62 publications

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n &lt; 10, x &lt; 4) clusters

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n &lt; 10, x &lt; 4) clusters

An enhanced ceramic conversion treatment of Ti6Al4V alloy surface by a pre-deposited thin gold layer

Structural evolution, electronic properties and spectra of titanium clusters

Contact Info

Product

Resources

About

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters

Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters