A1 Journal article (refereed), original research

Synthesis and Properties of Au Hydride

Open Access publication

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Publication Details
Authors: Sil Devika, Lane Christopher, Glor Ethan, Gilroy Kyle D.,Sylla Safiya, Barbiellini Bernardo, Markiewicz Robert, Hajfathalian Maryam, Neretina Svetlana, Bansil Arun, Zahra Fakhraai Zahra, Borguet Eric
Publisher: Wiley: 12 months
Publication year: 2019
Language: English
Related Journal or Series Information: ChemistrySelect
Journal acronym: Chemistry select
Volume number: 4
Issue number: 14
Start page: 4287
End page: 4292
Number of pages: 6
ISSN: 2365-6549
eISSN: 2365-6549
JUFO-Level of this publication: 1
Open Access: Open Access publication
Location of the parallel saved publication: http://urn.fi/URN:NBN:fi-fe2019050214018


The generation of chemical species from gases,
noble metals and light interacting with localized surface plasmons represents a
new paradigm for achieving low energy sustainable reaction pathways. Here, we
demonstrate that the dissociation reaction of H2 meditated by the
decay of localized surface plasmons of gold nanoparticles leads to the
generation of a new material as detected by a change in the optical properties
of the gold nanostructures. The effective permittivity measured by in situ spectroscopic ellipsometry shows
a blue-shift of 0.02 eV in the surface plasmon resonance, demonstrating the
plausible formation of a metastable gold hydride layer on the surface of
nanoparticles following the dissociation of H2. The formation of this
gold hydride through the interaction of gold with atomic H is supported by
first-principles simulations. These calculations do not indicate a significant charge
transfer upon hydrogenation of the (111) surface but rather large Friedel charge
oscillations within the gold layer. Moreover, our blue-shift is produced by the formation of a hydride
leading to changes in critical band gaps in the electronic structure. For
a coverage of 11%, the calculated peak of the imaginary part of the
ZZ-component of the dielectric tensor undergoes a blue shift of 28 nm from a hydrogen
free peak at 574 nm.

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