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@ARTICLE{Fehse:192711,
author = {Fehse, Marcus and Ben Yahia, Mouna and Monconduit, Laure
and Lemoigno, Frédéric and Doublet, Marie-Liesse and
Fischer, Florent and Tessier, Cécile and Stievano, Lorenzo},
title = {{N}ew {I}nsights on the {R}eversible {L}ithiation
{M}echanism of ${T}i{O}_{2}$({B}) by {O}perando {X}-ray
{A}bsorption {S}pectroscopy and {X}-ray {D}iffraction
{A}ssisted by {F}irst-{P}rinciples {C}alculations},
journal = {The journal of physical chemistry / C},
volume = {118},
number = {47},
issn = {1932-7455},
address = {Washington, DC},
publisher = {Soc.},
reportid = {PUBDB-2014-04253},
pages = {27210–27218},
year = {2014},
note = {(c) American Chemical Society},
abstract = {Operando X-ray absorption spectroscopy (XAS) and X-ray
diffraction (XRD) measurements provide new insights on the
mechanism of lithium insertion into TiO$_2$(B). The
investigation of the evolution of electronic, long-range,
and local structure during electrochemical cycling indicates
a purely monophasic insertion mechanism upon lithium
insertion, while global and local structure are only
slightly modified. While XRD reflects an anisotropic lattice
expansion, EXAFS reveals a wide distribution of Ti–O bond
length, in line with the presence of two distinct distorted
octahedral Ti environments, in agreement with previous DFT
calculations. Upon lithium insertion, these Ti–O
coordination shells undergo significant modifications which
are enhanced once the insertion of 0.4 Li is exceeded,
connoting a two regime process that is in good agreement
with the electrochemical signature of this material. DFT
calculations and local chemical bond analyses were coupled
with experimental results, thus providing additional
insights into the structural response of TiO$_2$(B) upon
lithiation.},
cin = {DOOR},
ddc = {540},
cid = {I:(DE-H253)HAS-User-20120731},
pnm = {DORIS Beamline A1 (POF2-54G13)},
pid = {G:(DE-H253)POF2-A1-20130405},
experiment = {EXP:(DE-H253)D-A1-20150101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000345722400004},
doi = {10.1021/jp507574e},
url = {https://bib-pubdb1.desy.de/record/192711},
}