Title

Transient Excited-State Absorption And Gain Spectroscopy Of A Two-Photon Absorbing Probe With Efficient Superfluorescent Properties

Keywords

aberration corrected TEM; catalysis; ceria nanoparticle; mesoporous; molecular dynamics; nanorod; simulated crystallization

Abstract

Atomistic simulations reveal that the chemical reactivity of ceria nanorods is increased when tensioned and reduced when compressed promising strain-tunable reactivity; the reactivity is determined by calculating the energy required to oxidize CO to CO 2 by extracting oxygen from the surface of the nanorod. Visual reactivity "fingerprints", where surface oxygens are colored according to calculated chemical reactivity, are presented for ceria nanomaterials including: nanoparticles, nanorods, and mesoporous architectures. The images reveal directly how the nanoarchitecture (size, shape, channel curvature, morphology) and microstructure (dislocations, grain-boundaries) influences chemical reactivity. We show the generality of the approach, and its relevance to a variety of important processes and applications, by using the method to help understand: TiO 2 nanoparticles (photocatalysis), mesoporous ZnS (semiconductor band gap engineering), MgO (catalysis), CeO 2/YSZ interfaces (strained thin films; solid oxide fuel cells/nanoionics), and Li-MnO 2 (lithiation induced strain; energy storage). © 2012 American Chemical Society.

Publication Date

5-24-2012

Publication Title

Journal of Physical Chemistry C

Volume

116

Issue

10

Number of Pages

11261-11271

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1021/jp302274v

Socpus ID

84861494541 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84861494541

This document is currently not available here.

Share

COinS