000192711 001__ 192711
000192711 005__ 20250730144919.0
000192711 0247_ $$2doi$$a10.1021/jp507574e
000192711 0247_ $$2ISSN$$a1932-7447
000192711 0247_ $$2ISSN$$a1932-7455
000192711 0247_ $$2WOS$$aWOS:000345722400004
000192711 0247_ $$2openalex$$aopenalex:W2033186697
000192711 037__ $$aPUBDB-2014-04253
000192711 082__ $$a540
000192711 1001_ $$0P:(DE-H253)PIP1015202$$aFehse, Marcus$$b0$$eCorresponding Author
000192711 245__ $$aNew Insights on the Reversible Lithiation Mechanism of $TiO_{2}$(B) by Operando X-ray Absorption Spectroscopy and X-ray Diffraction Assisted by First-Principles Calculations
000192711 260__ $$aWashington, DC$$bSoc.$$c2014
000192711 3367_ $$00$$2EndNote$$aJournal Article
000192711 3367_ $$2DRIVER$$aarticle
000192711 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s192711
000192711 3367_ $$2BibTeX$$aARTICLE
000192711 500__ $$a(c) American Chemical Society
000192711 520__ $$aOperando X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) measurements provide new insights on the mechanism of lithium insertion into TiO$_2$(B). The investigation of the evolution of electronic, long-range, and local structure during electrochemical cycling indicates a purely monophasic insertion mechanism upon lithium insertion, while global and local structure are only slightly modified. While XRD reflects an anisotropic lattice expansion, EXAFS reveals a wide distribution of Ti–O bond length, in line with the presence of two distinct distorted octahedral Ti environments, in agreement with previous DFT calculations. Upon lithium insertion, these Ti–O coordination shells undergo significant modifications which are enhanced once the insertion of 0.4 Li is exceeded, connoting a two regime process that is in good agreement with the electrochemical signature of this material. DFT calculations and local chemical bond analyses were coupled with experimental results, thus providing additional insights into the structural response of TiO$_2$(B) upon lithiation.
000192711 536__ $$0G:(DE-H253)POF2-A1-20130405$$aDORIS Beamline A1 (POF2-54G13)$$cPOF2-54G13$$fPOF II$$x0
000192711 588__ $$aDataset connected to CrossRef, bib-pubdb1.desy.de
000192711 693__ $$0EXP:(DE-H253)D-A1-20150101$$1EXP:(DE-H253)DORISIII-20150101$$6EXP:(DE-H253)D-A1-20150101$$aDORIS III$$fDORIS Beamline A1$$x0
000192711 7001_ $$0P:(DE-HGF)0$$aBen Yahia, Mouna$$b1
000192711 7001_ $$0P:(DE-H253)PIP1015282$$aMonconduit, Laure$$b2
000192711 7001_ $$0P:(DE-HGF)0$$aLemoigno, Frédéric$$b3
000192711 7001_ $$0P:(DE-HGF)0$$aDoublet, Marie-Liesse$$b4
000192711 7001_ $$0P:(DE-HGF)0$$aFischer, Florent$$b5
000192711 7001_ $$0P:(DE-HGF)0$$aTessier, Cécile$$b6
000192711 7001_ $$0P:(DE-HGF)0$$aStievano, Lorenzo$$b7
000192711 773__ $$0PERI:(DE-600)2256522-X$$a10.1021/jp507574e$$gp. 141112161211002 -$$n47$$p27210–27218$$tThe @journal of physical chemistry <Washington, DC> / C$$v118$$x1932-7455$$y2014
000192711 8564_ $$yRestricted
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.pdf$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/PUBDB-2014-04253.pdf$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.gif?subformat=icon$$xicon$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.jpg?subformat=icon-700$$xicon-700$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/PUBDB-2014-04253.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/PUBDB-2014-04253.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/PUBDB-2014-04253.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000192711 8564_ $$uhttps://bib-pubdb1.desy.de/record/192711/files/jp507574e.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000192711 909CO $$ooai:bib-pubdb1.desy.de:192711$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000192711 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000192711 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000192711 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000192711 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000192711 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000192711 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000192711 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000192711 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000192711 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences
000192711 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF <  5
000192711 9141_ $$y2014
000192711 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1015202$$aExternes Institut$$b0$$kExtern
000192711 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1015282$$aExternes Institut$$b2$$kExtern
000192711 9132_ $$0G:(DE-HGF)POF3-899$$1G:(DE-HGF)POF3-890$$2G:(DE-HGF)POF3-800$$aDE-HGF$$bProgrammungebundene Forschung$$lohne Programm$$vohne Topic$$x0
000192711 9131_ $$0G:(DE-HGF)POF2-54G13$$1G:(DE-HGF)POF2-540$$2G:(DE-HGF)POF2-500$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$9G:(DE-H253)POF2-A1-20130405$$aDE-H253$$bStruktur der Materie$$lForschung mit Photonen, Neutronen, Ionen$$vDORIS III$$x0
000192711 9201_ $$0I:(DE-H253)HAS-User-20120731$$kDOOR$$lDOOR-User$$x0
000192711 980__ $$ajournal
000192711 980__ $$aVDB
000192711 980__ $$aUNRESTRICTED
000192711 980__ $$aFullTexts
000192711 980__ $$aI:(DE-H253)HAS-User-20120731
000192711 9801_ $$aFullTexts