6Li MAS NMR studies of the local structure and electrochemical properties of Cr-doped lithium manganese and lithium cobalt oxide cathode materials for lithium-ion batteries
Identifieur interne : 001A07 ( Main/Exploration ); précédent : 001A06; suivant : 001A086Li MAS NMR studies of the local structure and electrochemical properties of Cr-doped lithium manganese and lithium cobalt oxide cathode materials for lithium-ion batteries
Auteurs : CHANJUAN PAN [États-Unis] ; YOUNG JOO LEE [États-Unis] ; Brett Ammundsen [Nouvelle-Zélande] ; Clare P. Grey [États-Unis]Source :
- Chemistry of materials [ 0897-4756 ] ; 2002.
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Abstract
6Li magic-angle spinning NMR spectroscopy has been used to probe the lithium local environments in a series of layered compounds, Cr-doped LiCoO2, Co-doped LiCrO2, Cr-doped LiMnO2, and the Li-rich material Li[Li0.2Cr0.4Mn0.4]O2. A series of resonances are seen for LiCrxCo1-xO2 due to Cr3+ occupancy of the first and second cation coordination sphere surrounding Li. The shifts, which are caused by a transferred hyperfine interaction, differ in size and sign, depending on the Li-O-Cr bond angle. The shift of LiCrO2 cannot be directly extrapolated from those measured in the magnetically dilute Cr3+-doped LiCoO2 compounds, and remains constant with temperature (from room to 283 °C). This behavior is ascribed to the strong antiferromagnetic couplings that exist in LiCrO2. The behavior of Cr3+-doped layered LiMn(III)O2 is qualitatively similar to that of Co3+-doped LiCrO2, both compounds showing additional resonances caused by the dopant cations. Dramatically different NMR spectra are seen for Li[Li0.2Cr0.4Mn0.4]O2. A series of sharper and broader resonances are observed, which are assigned to Li2MnO3-like and Mn4+-doped LiCrO2 regions or domains in the solid, respectively. Lithium is found in the transition metal layers in the Li2MnO3 regions of the solid, the concentration of Li in the layers decreasing substantially in the Cr-rich regions. Electrochemical deintercalation shows that the chromium-rich areas are oxidized initially, lithium local environments containing progressively more Mn4+ being deintercalated as the potential increases. By 4.4 V, only the Li2MnO3 regions in the solid and lithium local environments such as Li(OMn4+)3(OCr)(OLi)2 remain.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a"><sup>6</sup>Li MAS NMR studies of the local structure and electrochemical properties of Cr-doped lithium manganese and lithium cobalt oxide cathode materials for lithium-ion batteries</title><author><name sortKey="Chanjuan Pan" sort="Chanjuan Pan" uniqKey="Chanjuan Pan" last="Chanjuan Pan">CHANJUAN PAN</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author><author><name sortKey="Young Joo Lee" sort="Young Joo Lee" uniqKey="Young Joo Lee" last="Young Joo Lee">YOUNG JOO LEE</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author><author><name sortKey="Ammundsen, Brett" sort="Ammundsen, Brett" uniqKey="Ammundsen B" first="Brett" last="Ammundsen">Brett Ammundsen</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Pacific Lithium Limited, P.O. Box 90725</s1><s2>Auckland</s2><s3>NZL</s3><sZ>3 aut.</sZ></inist:fA14><country>Nouvelle-Zélande</country><wicri:noRegion>Auckland</wicri:noRegion></affiliation></author><author><name sortKey="Grey, Clare P" sort="Grey, Clare P" uniqKey="Grey C" first="Clare P." last="Grey">Clare P. Grey</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">INIST</idno><idno type="inist">02-0464559</idno><date when="2002">2002</date><idno type="stanalyst">PASCAL 02-0464559 INIST</idno><idno type="RBID">Pascal:02-0464559</idno><idno type="wicri:Area/PascalFrancis/Corpus">000652</idno><idno type="wicri:Area/PascalFrancis/Curation">000140</idno><idno type="wicri:Area/PascalFrancis/Checkpoint">000645</idno><idno type="wicri:Area/Main/Merge">001A98</idno><idno type="wicri:Area/Main/Curation">001A07</idno><idno type="wicri:Area/Main/Exploration">001A07</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a"><sup>6</sup>Li MAS NMR studies of the local structure and electrochemical properties of Cr-doped lithium manganese and lithium cobalt oxide cathode materials for lithium-ion batteries</title><author><name sortKey="Chanjuan Pan" sort="Chanjuan Pan" uniqKey="Chanjuan Pan" last="Chanjuan Pan">CHANJUAN PAN</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author><author><name sortKey="Young Joo Lee" sort="Young Joo Lee" uniqKey="Young Joo Lee" last="Young Joo Lee">YOUNG JOO LEE</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author><author><name sortKey="Ammundsen, Brett" sort="Ammundsen, Brett" uniqKey="Ammundsen B" first="Brett" last="Ammundsen">Brett Ammundsen</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Pacific Lithium Limited, P.O. Box 90725</s1><s2>Auckland</s2><s3>NZL</s3><sZ>3 aut.</sZ></inist:fA14><country>Nouvelle-Zélande</country><wicri:noRegion>Auckland</wicri:noRegion></affiliation></author><author><name sortKey="Grey, Clare P" sort="Grey, Clare P" uniqKey="Grey C" first="Clare P." last="Grey">Clare P. Grey</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, State University of New York at Stony Brook</s1><s2>Stony Brook, New York 11794-3400</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Stony Brook, New York 11794-3400</wicri:noRegion></affiliation></author></analytic><series><title level="j" type="main">Chemistry of materials</title><title level="j" type="abbreviated">Chem. mater.</title><idno type="ISSN">0897-4756</idno><imprint><date when="2002">2002</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Chemistry of materials</title><title level="j" type="abbreviated">Chem. mater.</title><idno type="ISSN">0897-4756</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Cathode</term><term>Chromium</term><term>Cobalt oxide</term><term>Doped materials</term><term>Electrode material</term><term>Lithium batteries</term><term>Lithium oxide</term><term>Manganese oxides</term><term>Nuclear magnetic resonance</term><term>Secondary cell</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Accumulateur électrochimique</term><term>Batterie lithium</term><term>Matériau électrode</term><term>Cathode</term><term>Lithium oxyde</term><term>Manganèse oxyde</term><term>Cobalt oxyde</term><term>Chrome</term><term>Résonance magnétique nucléaire</term><term>Matériau dopé</term></keywords><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Chrome</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">6<sup>L</sup>i magic-angle spinning NMR spectroscopy has been used to probe the lithium local environments in a series of layered compounds, Cr-doped LiCoO<sub>2</sub>, Co-doped LiCrO<sub>2</sub>, Cr-doped LiMnO<sub>2</sub>, and the Li-rich material Li[Li<sub>0.2</sub>Cr<sub>0.4</sub>Mn<sub>0.4</sub>]O<sub>2</sub>. A series of resonances are seen for LiCr<sub>x</sub>Co<sub>1-x</sub>O<sub>2</sub> due to Cr<sup>3+</sup> occupancy of the first and second cation coordination sphere surrounding Li. The shifts, which are caused by a transferred hyperfine interaction, differ in size and sign, depending on the Li-O-Cr bond angle. The shift of LiCrO<sub>2</sub> cannot be directly extrapolated from those measured in the magnetically dilute Cr<sup>3+</sup>-doped LiCoO<sub>2</sub> compounds, and remains constant with temperature (from room to 283 °C). This behavior is ascribed to the strong antiferromagnetic couplings that exist in LiCrO<sub>2</sub>. The behavior of Cr<sup>3+</sup>-doped layered LiMn(III)O<sub>2</sub> is qualitatively similar to that of Co<sup>3+</sup>-doped LiCrO<sub>2</sub>, both compounds showing additional resonances caused by the dopant cations. Dramatically different NMR spectra are seen for Li[Li<sub>0.2</sub>Cr<sub>0.4</sub>Mn<sub>0.4</sub>]O<sub>2</sub>. A series of sharper and broader resonances are observed, which are assigned to Li<sub>2</sub>MnO<sub>3</sub>-like and Mn<sup>4+</sup>-doped LiCrO<sub>2</sub> regions or domains in the solid, respectively. Lithium is found in the transition metal layers in the Li<sub>2</sub>MnO<sub>3</sub> regions of the solid, the concentration of Li in the layers decreasing substantially in the Cr-rich regions. Electrochemical deintercalation shows that the chromium-rich areas are oxidized initially, lithium local environments containing progressively more Mn<sup>4+</sup> being deintercalated as the potential increases. By 4.4 V, only the Li<sub>2</sub>MnO<sub>3</sub> regions in the solid and lithium local environments such as Li(OMn<sup>4+</sup>)<sub>3</sub>(OCr)(OLi)<sub>2</sub> remain.</div></front></TEI><affiliations><list><country><li>Nouvelle-Zélande</li><li>États-Unis</li></country></list><tree><country name="États-Unis"><noRegion><name sortKey="Chanjuan Pan" sort="Chanjuan Pan" uniqKey="Chanjuan Pan" last="Chanjuan Pan">CHANJUAN PAN</name></noRegion><name sortKey="Grey, Clare P" sort="Grey, Clare P" uniqKey="Grey C" first="Clare P." last="Grey">Clare P. Grey</name><name sortKey="Young Joo Lee" sort="Young Joo Lee" uniqKey="Young Joo Lee" last="Young Joo Lee">YOUNG JOO LEE</name></country><country name="Nouvelle-Zélande"><noRegion><name sortKey="Ammundsen, Brett" sort="Ammundsen, Brett" uniqKey="Ammundsen B" first="Brett" last="Ammundsen">Brett Ammundsen</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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