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@ARTICLE{Siska:617647,
author = {Siska, Emily and Smith, G. Alexander and Villa-Cortes,
Sergio and Conway, Lewis J. and Husband, Rachel and Van
Cleave, Joshua and Petitgirard, Sylvain and Cerantola,
Valerio and Appel, Karen and Baehtz, Carsten and Bouffetier,
Victorien and Dwivedi, Anand and Göde, Sebastian and
Gorkhover, Tais and Konopkova, Zuzana and Hosseini Saber,
Seyedmohammadali and Kuschel, Stephan and Laurus, Torsten
and Nakatsutsumi, Motoaki and Strohm, Cornelius and
Sztuk-Dambietz, Jolanta and Zastrau, Ulf and Smith, Dean and
Lawler, Keith V. and Pickard, Chris J. and Schwartz, Craig
P. and Salamat, Ashkan},
title = {{U}ltrafast {Y}ttrium {H}ydride {C}hemistry at {H}igh
{P}ressures via {N}on-equilibrium {S}tates {I}nduced by an
{X}-ray {F}ree {E}lectron {L}aser},
journal = {The journal of physical chemistry letters},
volume = {15},
number = {39},
issn = {1948-7185},
address = {Washington, DC},
publisher = {ACS},
reportid = {PUBDB-2024-06953},
pages = {9912-9919},
year = {2024},
abstract = {Controlling the formation and stoichiometric content of the
desired phases of materials has become of central interest
for a variety of fields. The possibility of accessing
metastable states by initiating reactions by X-ray-triggered
mechanisms over ultrashort time scales has been enabled by
the development of X-ray free electron lasers (XFELs).
Utilizing the exceptionally high-brilliance X-ray pulses
from the EuXFEL, we report the synthesis of a previously
unobserved yttrium hydride under high pressure, along with
nonstoichiometric changes in hydrogen content as probed at a
repetition rate of 4.5 MHz using time-resolved X-ray
diffraction. Exploiting non-equilibrium pathways, we
synthesize and characterize a hydride in a Weaire–Phelan
structure type at pressures as low as 125 GPa, predicted
using a crystal structure search, with a hydrogen content of
4.0–5.75 hydrogens per cation, that is enthalpically
metastable on the convex hull.},
cin = {FS-DS / $XFEL_E1_HED$ / FS-HIBEF / XFEL-User /
$XFEL_DO_DD_DET$},
ddc = {530},
cid = {I:(DE-H253)FS-DS-20120731 /
$I:(DE-H253)XFEL_E1_HED-20210408$ /
I:(DE-H253)FS-HIBEF-20240110 / I:(DE-H253)XFEL-User-20170713
/ $I:(DE-H253)XFEL_DO_DD_DET-20210408$},
pnm = {631 - Matter – Dynamics, Mechanisms and Control
(POF4-631)},
pid = {G:(DE-HGF)POF4-631},
experiment = {EXP:(DE-H253)XFEL-SASE2-20150101},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:39303208},
UT = {WOS:001318699400001},
doi = {10.1021/acs.jpclett.4c02134},
url = {https://bib-pubdb1.desy.de/record/617647},
}