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@article{TiXES-Miaja-Avila,
author = {Miaja-Avila, Luis and O'Neil, Galen C. and Joe,
Young Il and Morgan, Kelsey M. and Fowler, Joseph
W. and Doriese, William B. and Ganly, Brianna and
Lu, Deyu and Ravel, Bruce and Swetz, Daniel S. and
Ullom, Joel N.},
title = {Valence-to-core X-ray emission spectroscopy of
titanium compounds using energy dispersive
detectors},
journal = {X-Ray Spectrometry},
volume = 50,
number = 1,
pages = {9-20},
doi = {https://doi.org/10.1002/xrs.3183},
abstract = {X-ray emission spectroscopy (XES) of transition
metal compounds is a powerful tool for investigating
the spin and oxidation state of the metal
centers. Valence-to-core (vtc) XES is of special
interest, as it contains information on the ligand
nature, hybridization, and protonation. To date,
most vtc-XES studies have been performed with
high-brightness sources, such as synchrotrons, due
to the weak fluorescence lines from vtc
transitions. Here, we present a systematic study of
the vtc-XES for different titanium compounds in a
laboratory setting using an X-ray tube source and
energy dispersive microcalorimeter sensors. With a
full-width at half-maximum energy resolution of
approximately 4 eV at the Ti Kβ lines, we measure
the XES features of different titanium compounds and
compare our results for the vtc line shapes and
energies to previously published and newly acquired
synchrotron data as well as to new theoretical
calculations. Finally, we report simulations of the
feasibility of performing time-resolved vtc-XES
studies with a laser-based plasma source in a
laboratory setting. Our results show that
microcalorimeter sensors can already perform
high-quality measurements of vtc-XES features in a
laboratory setting under static conditions and that
dynamic measurements will be possible in the future
after reasonable technological developments.},
year = 2021
}
@article{Bailey_2020,
doi = {10.1088/1757-899x/818/1/012019},
year = 2020,
month = {apr},
publisher = {{IOP} Publishing},
volume = 818,
pages = 012019,
author = {D J Bailey and M C Stennett and S K Sun and L J
Gardner and S A Walling and C L Corkhill and B Ravel
and N C Hyatt},
title = {Ce and U speciation in wasteforms for thermal
treatment of plutonium bearing wastes, probed by L3
edge {XANES}},
journal = {{IOP} Conference Series: Materials Science and
Engineering},
abstract = {X-ray absorption spectroscopy was applied to
understand the speciation of elements relevant to
the immobilisation and disposal of radioactive
plutonium bearing wastes, utilizing Ce as a Pu
surrogate. Ce L3 XANES (X-ray Absorption Near Edge
Structure) characterisation of a crystallised glass
material produced by cold crucible plasma
vitrification, at demonstration scale, evidenced
incorporation as Ce3+ within the glass phase,
providing an important validation of laboratory
scale studies. U and Ce L3 XANES investigation of
brannerite ceramics, U0.9Ce0.1Ti2O6, synthesized
under oxidizing, neutral and reducing conditions,
established the charge compensation mechanism as
incorporation of Ce3+ through formation of U5+
and/or U6+ In each of these examples, X-ray
Absorption Spectroscopy has provided a pivotal
understanding of element speciation in relation to
the mechanism of incorporation within the host
wasteform intended for geological disposal.}
}
@article{doi:10.1021/acs.chemmater.9b02568,
author = {Shan, Xiaoqiang and Guo, Fenghua and Page, Katharine
and Neuefeind, Joerg C. and Ravel, Bruce and
Abeykoon, A. M. Milinda and Kwon, Gihan and Olds,
Daniel and Su, Dong and Teng, Xiaowei},
title = {Framework Doping of Ni Enhances Pseudocapacitive
Na-Ion Storage of (Ni)MnO2 Layered Birnessite},
journal = {Chemistry of Materials},
volume = 31,
number = 21,
pages = {8774-8786},
year = 2019,
doi = {10.1021/acs.chemmater.9b02568}
}
@article{BAILEY2020151885,
title = "A new approach to the immobilisation of technetium
and transuranics: Co-disposal in a zirconolite
ceramic matrix",
journal = "Journal of Nuclear Materials",
volume = 528,
pages = 151885,
year = 2020,
issn = "0022-3115",
doi = "https://doi.org/10.1016/j.jnucmat.2019.151885",
author = "D.J. Bailey and S.M. Lawson and S.K. Sun and
M.C. Stennett and T.-H. Lee and B. Ravel and
C.L. Corkhill and J. Heo and N.C. Hyatt",
abstract = "Technetium and transuranic elements (TRUs) are
long-lived radionuclides, produced as a result of
nuclear power generation. Co-immobilisation of these
radionuclides in a ceramic wasteform is attractive
as they are problematic for vitrification and would
reduce the demand on a future geological disposal
facility. A range of zirconolite ceramics have been
produced via an oxide route using the surrogates Mo
and Ce with a view to the co-immobilisation of Tc
and TRUs. The resultant materials were characterised
by XRD, SEM-EDX, TEM and XAS. Final phase assemblage
was found to be affected by target stoichiometry,
the Ca precursor used, processing temperature and
processing atmosphere. Through appropriate
optimisation of processing conditions and target
stoichiometry, the results of this study show
co-immobilisation of Tc and TRUs is a promising
approach."
}
@Article{Eremenko2019,
author = {Eremenko, M. and Krayzman, V. and Bosak, A. and
Playford, H. Y. and Chapman, K. W. and Woicik,
J. C. and Ravel, B. and Levin, I.},
title = {Local atomic order and hierarchical polar
nanoregions in a classical relaxor ferroelectric},
journal = {Nature Communications},
year = 2019,
volume = 10,
number = 1,
pages = 2728,
abstract = {The development of useful structure-function
relationships for materials that exhibit correlated
nanoscale disorder requires adequately large
atomistic models which today are obtained mainly via
theoretical simulations. Here, we exploit our recent
advances in structure-refinement methodology to
demonstrate how such models can be derived directly
from simultaneous fitting of 3D diffuse- and
total-scattering data, and we use this approach to
elucidate the complex nanoscale atomic correlations
in the classical relaxor ferroelectric
PbMg1/3Nb2/3O3 (PMN). Our results uncover details of
ordering of Mg and Nb and reveal a hierarchical
structure of polar nanoregions associated with the
Pb and Nb displacements. The magnitudes of these
displacements and their alignment vary smoothly
across the nanoregion boundaries. No spatial
correlations were found between the chemical
ordering and the polar nanoregions. This work
highlights a broadly applicable nanoscale
structure-refinement method and provides insights
into the structure of PMN that require rethinking
its existing contentious models.},
issn = {2041-1723},
doi = {10.1038/s41467-019-10665-4},
}
@article{doi:10.1063/1.5111115,
author = {Pajerowski,Daniel M. and Krayer,Lisa A. and
Jeen,Hyoungjeen and Borchers,Julie A. and
Biswas,Amlan and Ravel,Bruce },
title = "{Correlation of cation deficiency and nanostructure
to decreased magnetism in a ferroelectric BiMnO3
film}",
journal = {Journal of Applied Physics},
volume = 126,
number = 8,
pages = 085303,
year = 2019,
doi = {10.1063/1.5111115},
}
@article{LERI2019126,
title = "Particulate organohalogens in edible brown seaweeds",
journal = "Food Chemistry",
volume = 272,
pages = "126 - 132",
year = 2019,
issn = "0308-8146",
doi = {10.1016/j.foodchem.2018.08.050},
author = "Alessandra C. Leri and Marisa R. Dunigan and Rosie
L. Wenrich and Bruce Ravel",
keywords = "Edible seaweeds, Macroalgae, Organohalogens,
Organochlorine, Organobromine, X-ray absorption
spectroscopy, Infrared spectroscopy, XANES,
ATR-FTIR"
}
@article{doi:10.1021/acsanm.8b02309,
author = {Liu, Xiaoyang and Vonk, Donald and Jiang, Hua and
Kisslinger, Kim and Tong, Xiao and Ge, Mingyuan and
Nazaretski, Evgeny and Ravel, Bruce and Foster, Kate
and Petrash, Stanislas and Chen-Wiegart, Yu-chen
Karen},
title = {Environmentally Friendly Zr-Based Conversion
Nanocoatings for Corrosion Inhibition of Metal
Surfaces Evaluated by Multimodal X-ray Analysis},
journal = {ACS Applied Nano Materials},
volume = 2,
number = 4,
pages = {1920-1929},
year = 2019,
doi = {10.1021/acsanm.8b02309}
}
@article{PhysRevB.98.014111,
title = "{Local atomic geometry and Ti $1s$ near-edge spectra
in ${\mathrm{PbTiO}}_{3}$ and
${\mathrm{SrTiO}}_{3}$}",
author = {Cockayne, Eric and Shirley, Eric L. and Ravel, Bruce
and Woicik, Joseph C.},
journal = {Phys. Rev. B},
volume = 98,
issue = 1,
pages = 014111,
numpages = 9,
year = 2018,
month = {Jul},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.98.014111}
}
@article{PhysRevB.97.125139,
title = {Nonresonant valence-to-core x-ray emission
spectroscopy of niobium},
author = {Ravel, Bruce and Kropf, A. Jeremy and Yang, Dali and
Wang, Mengen and Topsakal, Mehmet and Lu, Deyu and
Stennett, Martin C. and Hyatt, Neil C.},
journal = {Phys. Rev. B},
volume = 97,
issue = 12,
pages = 125139,
numpages = 7,
year = 2018,
month = {Mar},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.97.125139},
note =
{\href{https://www.aps.anl.gov/APS-Science-Highlight/2018/extending-non-resonant-valence-to-core-emission-spectroscopy-to-niobium}{\color{color2}\homepagesymbol
APS science highlight}}
}
@Article{C7RA11742F,
author = "Bailey, D. J. and Stennett, M. C. and Ravel, B. and
Grolimund, D. and Hyatt, N. C.",
title = "{Synthesis and characterisation of brannerite
compositions
(U$_{0.9}$Ce$_{0.1}$)$_{1-x}$M$_x$Ti$_2$O$_6$ (M =
Gd$^{3+}$,Ca$^{2+}$) for the immobilisation of MOX
residues}",
journal = "RSC Adv.",
year = 2018,
volume = 8,
issue = 4,
pages = "2092-2099",
publisher = "The Royal Society of Chemistry",
doi = "10.1039/C7RA11742F",
abstract = "A suite of uranium brannerites for the disposal of
MOX residues{,} formulated (U0.9Ce0.1)1-xMxTi2O6 (M
= Ca2+ and/or Gd3+){,} were prepared using a mixed
oxide route under oxidising{,} inert and reducing
atmospheres (air{,} argon and H2/N2). Gd3+ was added
to act as a neutron absorber in the final Pu bearing
wasteform and Ce added to function as a structural
analogue for Pu. X-ray powder diffraction of the
synthesised specimens found that phase distribution
was strongly affected by the processing atmosphere
and Gd content. In all cases prototypical brannerite
was formed{,} accompanied by different secondary
phases dependent on processing
atmosphere. Microstructural analysis (SEM) of the
sintered samples confirmed the results of the X-ray
powder diffraction. Bulk XANES found that Ti
remained in the Ti4+ oxidation state whereas Ce was
uniformly reduced to the Ce3+ oxidation state
regardless of processing conditions or
stoichiometry. Micro-focus XANES was used to
determine U oxidation in the brannerite phase and
showed that U oxidised to higher U oxidation states
to charge compensate. It was concluded that the
charge balance mechanism was a combination of U
oxidation and A-site vacancies."
}
@Article{feff8l,
author = {Ravel, Bruce and Newville, Matthew and Kas, Josh
J. and Rehr, John J.},
title = "{The effect of self-consistent potentials on EXAFS
analysis}",
journal = {Journal of Synchrotron Radiation},
year = 2017,
volume = 24,
number = 6,
pages = {1173-1179},
doi = {10.1107/S1600577517011651}
}
@article{doi:10.1021/acscatal.6b03603,
author = {Cybulskis, V. J. and Bukowski, B. C. and Tseng,
H.-T. and Gallagher, J. R. and Wu, Z. and Wegener,
E. and Kropf, A. J. and Ravel, B. and Ribeiro,
F. H. and Greeley, J. and Miller, J. T.},
title = "{Zinc Promotion of Platinum for Catalytic Light
Alkane Dehydrogenation: Insights into Geometric and
Electronic Effects}",
journal = {ACS Catalysis},
volume = 7,
pages = {4173-4181},
year = 2017,
doi = {10.1021/acscatal.6b03603}
}
@article{doi:10.1021/acs.jpclett.7b00078,
author = {O'Neil, Galen C. and Miaja-Avila, L. and Joe,
Y. I. and Alpert, B. K. and Balasubramanian, M. and
Sagar, D. M. and Doriese, W. and Fowler, J. W. and
Fullagar, W. K. and Chen, N. and Hilton, G. C. and
Jimenez, R. and Ravel, B. and Reintsema, C. D. and
Schmidt, D. R. and Silverman, K. L. and Swetz,
D. S. and Uhlig, J. and Ullom, J. N.},
title = {Ultrafast Time-Resolved X-ray Absorption
Spectroscopy of Ferrioxalate Photolysis with a Laser
Plasma X-ray Source and Microcalorimeter Array},
journal = {The Journal of Physical Chemistry Letters},
volume = 8,
pages = {1099-1104},
year = 2017,
doi = {10.1021/acs.jpclett.7b00078},
}
@article{XDI,
author = {B. Ravel and M. Newville},
title = {{XAFS Data Interchange: A single spectrum XAFS data
file format}},
journal = {Journal of Physics: Conference Series},
volume = 712,
number = 1,
pages = 012148,
doi = {10.1088/1742-6596/712/1/012148},
year = 2016,
abstract = {We propose a standard data format for the
interchange of XAFS data. The XAFS Data Interchange
(XDI) standard is meant to encapsulate a single
spectrum of XAFS along with relevant metadata. XDI
is a text-based format with a simple syntax which
clearly delineates metadata from the data table in a
way that is easily interpreted both by a computer
and by a human. The metadata header is inspired by
the format of an electronic mail header,
representing metadata names and values as an
associative array. The data table is represented as
columns of numbers. This format can be imported as
is into most existing XAFS data analysis,
spreadsheet, or data visualization programs. Along
with a specification and a dictionary of metadata
types, we provide an application-programming
interface written in C and bindings for programming
dynamic languages.}
}
@Comment note = {\myurl{http://stacks.iop.org/1742-6596/712/i=1/a=012148}},
@Comment http://www.wiley.com/WileyCDA/WileyTitle/productCd-1118844238.html
@InCollection{lvbchapter,
author = {B. Ravel},
title = "{Quantitative EXAFS Analysis}",
booktitle = {X-Ray Absorption and X-ray Emission Spectroscopy:
Theory and Applications},
chapter = 11,
pages = {281--302},
publisher = {Wiley},
year = 2016,
editor = {J. van Bokhoven and C. Lamberti},
edition = {1$^{\mathrm{st}}$},
doi = {10.1002/9781118844243.ch11}
}
@article{leri15_est,
author = {Alessandra C. Leri and Bruce Ravel},
title = "{Abiotic Bromination of Soil Organic Matter}",
journal = {Environmental Science \& Technology},
volume = 49,
number = 22,
pages = {13350-13359},
year = 2015,
doi = {10.1021/acs.est.5b03937}
}
@Article{sspath,
author = {B. Ravel},
title = "{Muffin-tin potentials in EXAFS analysis}",
journal = {Journal of Synchrotron Radiation},
year = 2015,
volume = 22,
number = 5,
pages = {1258-1262},
doi = {10.1107/S1600577515013521},
abstract = {Muffin-tin potentials are the standard tool for
calculating the potential surface of a cluster of
atoms for use in the analysis of extended X-ray
absorption fine- structure (EXAFS) data. The set of
Cartesian coordinates used to define the positions
of atoms in the cluster and to calculate the
muffin-tin potentials is commonly also used to
enumerate the scattering paths used in the EXAFS
data analysis. In this paper, it is shown that these
muffin-tin potentials are sufficiently robust to be
used to examine quantitatively contributions to the
EXAFS data from scattering geometries not
represented in the original cluster.}
}
@Article{BlueGlass,
author = {W. Klysubun and C. Hauzenberger and B. Ravel and
P. Klysubun and Y. Huang and W. Wongtepa and
P. Sombunchoo},
title = "{Understanding the blue color in antique mosaic
mirrored glass from the Temple of the Emerald
Buddha, Thailand}",
journal = {X-ray Spectrometry},
year = 2015,
volume = 44,
number = 3,
pages = {116--123},
doi = {10.1002/xrs.2586},
abstract = "{Two samples of the blue glass produced in the
middle 19$^{\mathrm{th}}$ century from the Temple of
the Emerald Buddha in Bangkok, Thailand, were
studied in order to understand the origin of its
blue color. The oxide components and trace elements
are quantitatively determined by SEM-EDX/WDX and
LA-ICP-MS techniques. The results indentify the
glass type as soda-lime-silica glass with high lead
content. The 3d transition elements detected include
iron, manganese, cobalt, and copper. Combined
analyses of X-ray absorption near edge structures
and optical absorbance lead to a conclusion that the
antique glass is primarily colored in blue by the
divalent cobalt with additional yellow coloration
due to the trivalent iron. The tetrahedral
coordination geometry of these two species was
deduced from the XANES pre-edge intensity and the
observed absorption bands of their d-d
transitions. The redox ratios of
Fe$^{\mathrm{2+}}$/Fe$^{\mathrm{3+}}$,
Mn$^{\mathrm{2+}}$/Mn$^{\mathrm{3+}}$, and
Cu$^{\mathrm{1+}}$/Cu$^{\mathrm{2+}}$ in the
original blue glass and the reference glasses were
determined by the K-edge XANES analysis. The blue
color of the antique glass can be reproduced in a
laboratory glass on the basis of composition and
melting conditions.}"
}
@Article{thai_red_glass,
author = {B. Ravel and G.L. Carr and C.A. Hauzenberger and
W. Klysubun},
title = "{X-ray and optical spectroscopic study of the
coloration of red glass used in 19$^{\mathrm{th}}$
century decorative mosaics at the Temple of the
Emerald Buddha}",
journal = {J. Cultural Heritage},
volume = 16,
number = 3,
pages = "315 - 321",
year = 2015,
doi = {10.1016/j.culher.2014.06.001},
note =
{\href{http://physics.aps.org/articles/v9/42}{\color{color2}\homepagesymbol
\textit{Physics} - Arts \& Culture}},
abstract = "{The Temple of the Emerald Buddha in Bangkok,
Thailand is noted for its glass mosaic decorations
on exterior walls and statuary. The original mosaic
artwork dates to the early 19th century and is
composed of variously-colored, mirrored glass
pieces. In this work, we examine the chemical
composition and optical properties of the red glass
manufactured at that time. Through the use of X-ray
and optical spectroscopies, we demonstrate evidence
that the 19th century craftsmen produced “ruby-gold”
glass, wherein the red coloration is caused by the
dispersal of nanoscale metallic gold particles
throughout the glass matrix.}"
}
@Article{fuzzydegen,
author = {B. Ravel},
title = "{Path degeneracy and EXAFS analysis of disordered
materials}",
journal = {J. Synchrotron Rad.},
year = 2014,
volume = 21,
number = 6,
pages = {1269--1274},
doi = {10.1107/S1600577514014982},
abstract = "{Analysis of EXAFS data measured on a material with
a disordered local configuration environment around
the absorbing atom can be challenging owing to the
proliferation of photoelectron scattering paths that
must be considered in the analysis. In the case
where the absorbing atom exists in multiple
inequivalent sites, the problem is compounded by
having to consider each site separately. A method is
proposed for automating the calculation of theory
for inequivalent sites, then averaging the
contributions from sufficiently similar scattering
paths. With this approach, the complexity of
implementing a successful fitting model on a highly
disordered sample is reduced. As an example, an
analysis of Ti K-edge data on zirconolite,
CaZrTi$_2$O$_7$, which has three inequivalent Ti
sites, is presented.}"
}
@article{Leri201453,
title = "Bromination of marine particulate organic matter
through oxidative mechanisms ",
journal = "Geochimica et Cosmochimica Acta ",
volume = 142,
number = 0,
pages = "53--63",
year = 2014,
issn = "0016-7037",
doi = "10.1016/j.gca.2014.08.012",
author = "Alessandra C. Leri and Lawrence M. Mayer and
Kathleen R. Thornton and Bruce Ravel",
abstract = "Although bromine (Br) is considered conservative in
seawater, it exhibits a well established correlation
with organic carbon in marine sediments. This
carbon–bromine association was recently attributed
to covalent bonding, with organobromine in sinking
particulates providing a putative link between
sedimentary organobromine and organic matter cycling
in surface waters. We hypothesized that
phytoplankton detritus, a major precursor of
sedimentary organic matter, would be susceptible to
bromination through oxidative attack. Through a
series of model experiments, we demonstrate
incorporation of Br into algal particulate detritus
through peroxidative and photochemical
mechanisms. Peroxidative bromination was enhanced by
addition of exogenous bromoperoxidase, but the
enzyme was not required for the
reaction. Fenton-like reaction conditions also
promoted bromination, especially under solar
irradiation, implicating radical mechanisms in the
euphotic zone as another abiotic source of
brominated particulates. These reactions produced
aliphatic and aromatic forms of organobromine,
suggesting that lipid- and protein-rich components
of algal membranes provide suitable substrates for
bromination. Biogenic organobromines in certain
genera of phytoplankton also appeared in both
aliphatic and aromatic forms. Experimental evidence
and samples from oceanic midwater sediment traps
imply that the aromatic fraction is more stable than
the aliphatic. These experiments establish Br as a
versatile oxidant in the transformation of
planktonic organic matter through both enzymatic and
abiotic mechanisms. Organobromine may serve as a
marker of oxidative breakdown of marine organic
detritus, with the metastable component providing a
short-lived indicator of early-stage oxidation. By
altering the stability of aliphatic and aromatic
moieties, bromination may affect the availability of
organic matter to organisms, with consequences for
the preservation and degradation of marine organic
carbon. "
}
@article{doi:10.1021/cm4042007,
author = {Pajerowski, Daniel M and Ravel, Bruce and Li,
Carissa H. and Dumont, Matthieu F and Talham, Daniel
R.},
title = {X-ray Absorption Study of Structural Coupling in
Photomagnetic Prussian Blue Analogue Core@Shell
Particles},
journal = {Chemistry of Materials},
volume = 26,
number = 8,
pages = {2586--2594},
year = 2014,
doi = {10.1021/cm4042007},
}
@Article{Leri:hf5254,
author = {Alessandra C. Leri and Bruce Ravel},
title = "{Sample thickness and quantitative concentration
measurements in Br \textit{K}-edge XANES
spectroscopy of organic materials}",
journal = {Journal of Synchrotron Radiation},
year = 2014,
volume = 21,
number = 3,
pages = {623--626},
doi = {10.1107/S1600577514001283},
abstract = {While XANES spectroscopy is an established tool for
quantitative information on chemical structure and
speciation, elemental concentrations are generally
quantified by other methods. The edge step in XANES
spectra represents the absolute amount of the
measured element in the sample, but matrix effects
and sample thickness complicate the extraction of
accurate concentrations from XANES measurements,
particularly at hard X-ray energies where the X-ray
beam penetrates deeply into the sample. The present
study demonstrates a method of quantifying
concentration with a detection limit approaching 1
mg/kg using information routinely collected in the
course of a hard X-ray XANES experiment. The XANES
normalization procedure unambiguously separates the
signal of the absorber from any source of
background. The effects of sample thickness on edge
steps at the bromine K-edge was assessed and an
empirical correction factor for use with samples of
variable mass was developed.}
}
@article{diamond_polycap,
author = "Ravel, B. and Attenkofer, K. and Bohon, J. and
Muller, E. and Smedley, J.",
title = "Diamond sensors and polycapillary lenses for X-ray
absorption spectroscopy",
journal = "Review of Scientific Instruments",
year = 2013,
volume = 84,
number = 10,
eid = 103106,
pages = 103106,
doi = "10.1063/1.4824350",
note = "{Press coverage:
{\myurl{http://www.bnl.gov/ps/eNews/news.php?a=25140}},
{\myurl{http://phys.org/news/2014-08-diamond-crystal-job.html}}}",
abstract = {Diamond sensors are evaluated as incident beam
monitors for X-ray absorption spectroscopy
experiments. These single crystal devices pose a
challenge for an energy-scanning experiment using
hard X-rays due to the effect of diffraction from
the crystalline sensor at energies which meet the
Bragg condition. This problem is eliminated by
combination with polycapillary lenses. The
convergence angle of the beam exiting the lens is
large compared to rocking curve widths of the
diamond. A ray exiting one capillary from the lens
meets the Bragg condition for any reflection at a
different energy from the rays exiting adjacent
capillaries. This serves to broaden each diffraction
peak over a wide energy range, allowing linear
measurement of incident intensity over the range of
the energy scan. Extended X-ray absorption fine
structure data are measured with a combination of a
polycapillary lens and a diamond incident beam
monitor. These data are of comparable quality to
data measured without a lens and with an ionization
chamber monitoring the incident beam intensity.}
}
@article{klysubun2013characterization,
title = "{Characterization of yellow and colorless decorative
glasses from the Temple of the Emerald Buddha,
Bangkok, Thailand}",
author = {Klysubun, Wantana and Ravel, Bruce and Klysubun,
Prapong and Sombunchoo, Panidtha and Deenan,
Weeraya},
journal = {Applied Physics A},
volume = 111,
number = 3,
pages = {775--782},
year = 2013,
publisher = {Springer},
doi = {10.1007/s00339-013-7657-8}
}
@article{1742-6596-430-1-012006,
author = {Bruce Ravel},
title = "{Path aggregation techniques for EXAFS visualization
and analysis}",
journal = {Journal of Physics: Conference Series},
volume = 430,
number = 1,
pages = 012006,
doi = {10.1088/1742-6596/430/1/012006},
year = 2013,
abstract = {The path expansion model used by feff considers the
EXAFS spectrum as the sum of contributions from
scattering geometries of two or more atoms in a
cluster surrounding the absorbing atom. This model
and its representation as a collection of files is
the basis for a number of popular EXAFS analysis
programs, including one co-developed by me. Here I
present several tools which build upon the
scattering path model to articulate analysis and
visualization capabilities not normally included in
feff-based analysis software. These include the
generation of arbitrary single-scattering paths not
represented in feffs input structure, consideration
of non-Gaussian and non-cumulant distribution
functions, easy visualization of arbitrary path
summations, and others. Each of these tools is
tightly integrated into the artemis EXAFS analysis
program, making these analysis and visualization
tools easily and widely available.}
}
@article{1742-6596-430-1-012009,
author = {Stephen W T Price and Nicholas Zonias and
Chris-Kriton Skylaris and Andrea E Russell and Bruce
Ravel},
title = "{The application of molecular dynamics to fitting
EXAFS data}",
journal = {Journal of Physics: Conference Series},
volume = 430,
number = 1,
pages = 012009,
doi = {10.1088/1742-6596/430/1/012009},
year = 2013,
abstract = {In recent work, a new method for using the outputs
of molecular dynamics simulations to generate
enhanced inputs for EXAFS analysis of nanoparticles
was reported. Although currently limited to the
first coordination shell, the method was
demonstrated to improve both the quality of the fit,
and the cross-correlation of the EXAFS data with
that from TEM and XRD. Here we discuss further the
justifications behind this assertion.}
}
@article{Pajerowski201234,
title = "X-ray structural studies of Prussian blue analog
heterostructures on poly(ethylene terephthalate)
supports",
journal = "Thin Solid Films",
volume = 526,
number = 0,
pages = "34 - 40",
year = 2012,
issn = "0040-6090",
doi = "10.1016/j.tsf.2012.10.046",
author = "Daniel M. Pajerowski and Brian M. Zakrzewski and
Bruce Ravel",
keywords = "Photoinduced magnetism",
keywords = "Prussian blue analog",
keywords = "Heterostructured film"
}
@article{Ravel:xa5006,
author = "Ravel, B. and Hester, J. R. and Sol{\'{e}},
V. A. and Newville, M.",
title = "{Towards data format standardization for X-ray
absorption spectroscopy}",
journal = "Journal of Synchrotron Radiation",
year = 2012,
volume = 19,
number = 6,
pages = "869--874",
month = "Nov",
doi = {10.1107/S0909049512036886},
}
@article{MaddenOctober2012,
author = {Madden, Andrew S. and Swindle, Andrew L. and
Beazley, Melanie J. and Moon, Ji-Won and Ravel,
Bruce and Phelps, Tommy J.},
title = "{Long-term solid-phase fate of co-precipitated
U(VI)-Fe(III) following biological iron reduction by
Thermoanaerobacter}",
volume = 97,
number = 10,
pages = {1641-1652},
year = {October 2012},
doi = {10.2138/am.2012.4122},
journal = {American Mineralogist}
}
@article{PhysRevB.85.075439,
volume = 85,
journal = {Phys. Rev. B},
author = {Price, Stephen W. T. and Zonias, Nicholas and
Skylaris, Chris-Kriton and Hyde, Timothy I. and
Ravel, Bruce and Russell, Andrea E.},
month = {Feb},
doi = {10.1103/PhysRevB.85.075439},
year = 2012,
title = "{Fitting EXAFS data using molecular dynamics outputs
and a histogram approach}",
issue = 7,
publisher = {American Physical Society},
numpages = 14,
pages = 075439
}
@Article{Patridge:2011,
AUTHOR = {Patridge, Christopher J. and Jaye, Cherno and Abtew,
Tesfaye A. and Ravel, Bruce and Fischer, Daniel
A. and Marschilok, Amy C. and Zhang, Peihong and
Takeuchi, Kenneth J. and Takeuchi, Esther S. and
Banerjee, Sarbajit},
TITLE = "{An X-ray Absorption Spectroscopy Study of the
Cathodic Discharge of Ag$_2$VO$_2$PO$_4$: Geometric
and Electronic Structure Characterization of
Intermediate phases and Mechanistic Insights}",
YEAR = 2011,
JOURNAL = {J.\ Phys.\ Chem.\ C},
VOLUME = 115,
NUMBER = 29,
PAGES = {14437 - 14447},
ISSN = {1932-7447},
doi = {10.1021/jp203924w},
ABSTRACT = {Bimetallic phosphorus oxides have emerged as
attractive candidates for use as cathode materials
in the next generation of lithium-based batteries
owing to the operation of multielectron transfer
processes and thermochemical stabilities conferred
by the incorporation of phosphate groups. In
particular silver vanadium phosphorus oxide,
Ag(2)VO(2)PO(4), shows a much desired in situ
conductivity enhancement upon discharge resulting in
inherently high power capability with minimal
conductive additives needed. However, the
amorphization of Ag(2)VO(2)PO(4) during
electrochemical discharge precludes the use of
standard diffraction tools to monitor changes in the
local electronic and geometric structure. Here, we
have utilized a combination of V K-, V L-, Ag K-,
and O K-edge X-ray absorption fine structure
spectroscopy to determine the local vanadium and
silver oxidation states, local coordination
geometry, and Stoichiometry for Ag(2)VO(2)PO(4)
samples with varying extents of electrochemical
lithiation. Soft X-ray V L- and O K-edge
measurements provide a detailed orbital-Specific
picture of changes in vanadium electronic structure
upon discharge.},
DATE = {JUL 28 2011}
}
@Article{Tyson:2010,
AUTHOR = {Tyson, T. A. and Wu, T. and Woicik, J. C. and Ravel,
B. and Ignatov, A. and Zhang, C. L. and Qin, Z. and
Zhou, T. and Cheong, S. -W.},
TITLE = "{Temperature-dependent local structure of
LaFeAsO$_{(1-x)}$F$_x$: Probing the atomic
correlations}",
YEAR = 2010,
JOURNAL = {J.\ Appl.\ Phys.},
VOLUME = 108,
NUMBER = 12,
PAGES = 123715,
ISSN = {0021-8979},
ABSTRACT = {The local structure of the parent and doped
LaFeAsO(1-x)F(x) (pnictide) compounds were studied
by x-ray absorption spectroscopy and density
functional methods. In the doped system, the Fe-As
and Fe-Fe correlations are both well modeled by an
Einstein model. For the Fe-As bonds, the Einstein
temperatures are identical for the doped (11\%) and
undoped samples but the doped sample is found to
have a lower level of static disorder. Doping is
found to increases the effective Einstein
temperature of Fe-Fe atomic correlation. The results
suggest that the onset of superconductivity in the F
doped system may be related to enhanced magnetic
interactions. Density functional calculations of the
total charge density reveal strong bonding between
neighboring As ions but metal-like behavior in the
Fe layers. It is also seen directly that the
replacement of oxygen by fluorine modifies the
electron charge density mainly on the Fe sites. (C)
2010 American Institute of Physics. },
doi = {10.1063/1.3525999},
ARTICLENUMBER =123715,
DATE = {DEC 15 2010}
}
@Article{Bare:2010,
AUTHOR = {Bare, Simon R. and Kelly, Shelly D. and Ravel, Bruce
and Greenlay, Nan and King, Lisa and Mickelson,
George E.},
TITLE = "{Characterizing industrial catalysts using
\textit{in situ} XAFS under identical conditions}",
YEAR = 2010,
JOURNAL = {Physical Chemistry Chemical Physics},
VOLUME = 12,
NUMBER = 27,
PAGES = {7702 - 7711},
ISSN = {1463-9076},
doi = {10.1039/B926621F},
ABSTRACT = {In situ X-ray absorption spectroscopy (XAS) in
catalysis research has traditionally been conducted
by making one measurement at a time on a single
sample. In an industrial research environment this
is especially limiting as sample throughput
(productivity) and turnaround time (direct project
relevance) are critical issues in the use of XAS in
a fast-moving technology delivery project. In order
to address these issues we have developed and
implemented a four-channel ionization chamber
combined with two different in situ cells that
allows XAS data to be collected simultaneously from
four samples, or four regions, in tran smission
geometry without any sample or detector movement. In
the development of this new capability it was
realized that there are other benefits from this
simultaneous detection in addition to increased
productivity. Namely, (i) the use of EXAFS to
determine the structure of a catalyst in situ
axially at four different positions down a catalyst
bed; (ii) the ability to collect up to four XAFS
spectra simultaneously and thereby avoid any
scan-to-scan uncertainties, and (iii) the added
confidence in the ability to discriminate small
differences in similarly prepared catalysts which is
typical in the development of a commercial
catalyst. Specific illustrations of each of these
applications are shown. The methodology is simple to
implement and could be used on any XAFS beamline
with a horizontal fan of radiation, such as at a
typical bending magnet or wiggler source beamline.},
DATE = 2010
}
@Article{Kelly:2010,
AUTHOR = {Kelly, Shelly D. and Wu, Wei-Min and Yang, Fan and
Criddle, Craig S. and Marsh, Terence L. and
O'Loughlin, Edward J. and Ravel, Bruce and Watson,
David and Jardine, Philip M. and Kemner, Kenneth M.},
TITLE = {Uranium Transformations in Static Microcosms},
YEAR = 2010,
JOURNAL = {Environ.\ Sci.\ Tech.},
VOLUME = 44,
NUMBER = 1,
PAGES = {236 - 242},
ISSN = {0013-936X},
doi = {10.1021/es902191s},
ABSTRACT = {Elucidation of complex biogeochemical processes and
their effects on speciation of U in the subsurface
is critical for developing remediation strategies
with an understanding of stability. We have
developed static microcosms that are similar to
bioreduction process studies in situ under laminar
flow conditions or in sediment pores. Uranium
L(3)-edge X-ray absorption near-edge spectroscopy
analysis with depth in the microcosms indicated that
transformation of U(VI) to U(IV) occurred by at
least two distinct processes. Extended X-ray
absorption fine structure (EXAFS) analysis indicated
that initial U(VI) species associated with C- and
P-containing ligands were transformed to U(IV) in
the form of uraninite and U associated with Fe-bound
ligands. Microbial community analysis identified
putative Fe(III) and sulfate reducers at two
different depths in the microcosms. The slow
reduction of U(VI) to U(IV) may contribute the
stability of U(IV) within microcosms at 11 months
after a decrease in bioreducing conditions due to
limited electron donors.},
DATE = {JAN 1 2010}
}
@Article{Patridge:2010,
AUTHOR = {Patridge, Christopher J. and Wu, Tai-Lung and Jaye,
Cherno and Ravel, Bruce and Takeuchi, Esther S. and
Fischer, Daniel A. and Sambandamurthy, G. and
Banerjee, Sarbajit},
TITLE = {Synthesis, Spectroscopic Characterization, and
Observation of Massive Metal-Insulator Transitions
in Nanowires of a Nonstoichiometric Vanadium Oxide
Bronze},
YEAR = 2010,
JOURNAL = {Nano Letters},
VOLUME = 10,
NUMBER = 7,
PAGES = {2448 - 2453},
ISSN = {1530-6984},
doi = {10.1021/nl100642b},
ABSTRACT = {Metal-insulator transitions in strongly correlated
materials, induced by varying either temperature or
dopant concentration, remain a topic of enduring
interest in solid-state chemistry and physics owing
to their fundamental importance in answering
longstanding questions regarding correlation effects
We note here the unprecedented observation of a
four-orders-of-magnitude metal-insulator transition
in single nanowires of delta-K(x)V(2)O(5), when
temperature is varied, which thus represents a rare
new addition to the pantheon of materials exhibiting
pronounced metal insulator transitions in proximity
to room temperature},