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• W1149278872 endingPage "11003" @default.
• W1149278872 startingPage "10992" @default.
• W1149278872 abstract "We study--experimentally and theoretically--the energetics, structural changes, and charge flows during the charging and discharging processes for a new high-capacity cathode material, Li8ZrO6 (LZO), which we study both pure and yttrium-doped. We quantum mechanically calculated the stable delithiated configurations, the delithiation energy, the charge flow during delithiation, and the stability of the delithiated materials. We find that Li atoms are easier to extract from tetrahedral sites than octahedral ones. We calculate a large average voltage of 4.04 eV vs Li/Li(+) for delithiation of the first Li atom in a primitive cell, which is confirmed by galvanostatic charge/discharge cycling data. Energy calculations indicate that topotactic delithiation is kinetically favored over decomposition into Li, ZrO2, and O2 during the charging process, although the thermodynamic energy of the topotactic reaction is less favorable. When one or two lithium atoms are extracted from a primitive cell of LZO, its volume and structure change little, whereas extraction of the third lithium greatly distorts the layered structure. The Li6ZrO6 and Li5ZrO6 delithiation products can be thermodynamically metastable to release of O2. Experimentally, materials with sufficiently small particle size for efficient delithiation and relithiation were achieved within an yttrium-doped LZO/carbon composite cathode that exhibited an initial discharge capacity of at least 200 mAh/g over the first 10 cycles, with 142 mAh/g maintained after 60 cycles. Computations predict that during the charging process, the oxygen ion near the Li vacancy is oxidized for both pure LZO and yttrium-doped LZO, which leads to a small-polaron hole." @default.
• W1149278872 created "2016-06-24" @default.
• W1149278872 creator A5006176964 @default.
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• W1149278872 creator A5059545706 @default.
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• W1149278872 creator A5062251400 @default.
• W1149278872 date "2015-08-20" @default.
• W1149278872 modified "2023-09-30" @default.
• W1149278872 title "Y-doped Li₈ZrO₆: A Li-Ion Battery Cathode Material with High Capacity" @default.
• W1149278872 cites W1491994835 @default.
• W1149278872 cites W1968181460 @default.
• W1149278872 cites W1970127494 @default.
• W1149278872 cites W1971861784 @default.
• W1149278872 cites W1973434229 @default.
• W1149278872 cites W1973862067 @default.
• W1149278872 cites W1977411112 @default.
• W1149278872 cites W1977700257 @default.
• W1149278872 cites W1979544533 @default.
• W1149278872 cites W1981368803 @default.
• W1149278872 cites W1982747359 @default.
• W1149278872 cites W1985076212 @default.
• W1149278872 cites W1985639037 @default.
• W1149278872 cites W1986130781 @default.
• W1149278872 cites W1990498325 @default.
• W1149278872 cites W1994880295 @default.
• W1149278872 cites W1997537380 @default.
• W1149278872 cites W1998062017 @default.
• W1149278872 cites W1998881134 @default.
• W1149278872 cites W2007395042 @default.
• W1149278872 cites W2008423326 @default.
• W1149278872 cites W2012902855 @default.
• W1149278872 cites W2017151442 @default.
• W1149278872 cites W2027184266 @default.
• W1149278872 cites W2027705989 @default.
• W1149278872 cites W2030460019 @default.
• W1149278872 cites W2034094393 @default.
• W1149278872 cites W2035479011 @default.
• W1149278872 cites W2036250205 @default.
• W1149278872 cites W2039819850 @default.
• W1149278872 cites W2040678128 @default.
• W1149278872 cites W2040875144 @default.
• W1149278872 cites W2044644907 @default.
• W1149278872 cites W2049941424 @default.
• W1149278872 cites W2058082286 @default.
• W1149278872 cites W2059742211 @default.
• W1149278872 cites W2071037615 @default.
• W1149278872 cites W2071324443 @default.
• W1149278872 cites W2080127718 @default.
• W1149278872 cites W2083197600 @default.
• W1149278872 cites W2083222334 @default.
• W1149278872 cites W2083302088 @default.
• W1149278872 cites W2084828962 @default.
• W1149278872 cites W2088975540 @default.
• W1149278872 cites W2090070891 @default.
• W1149278872 cites W2091176152 @default.
• W1149278872 cites W2094676522 @default.
• W1149278872 cites W2098736175 @default.
• W1149278872 cites W2103060835 @default.
• W1149278872 cites W2106173564 @default.
• W1149278872 cites W2107572703 @default.
• W1149278872 cites W2114860804 @default.
• W1149278872 cites W2118575450 @default.
• W1149278872 cites W2137534574 @default.
• W1149278872 cites W2137791990 @default.
• W1149278872 cites W2138936929 @default.
• W1149278872 cites W2142841029 @default.
• W1149278872 cites W2150195378 @default.
• W1149278872 cites W2152277301 @default.
• W1149278872 cites W2169084811 @default.
• W1149278872 cites W2230728100 @default.
• W1149278872 cites W2314142233 @default.
• W1149278872 cites W2315680293 @default.
• W1149278872 cites W2315879450 @default.
• W1149278872 cites W2316009164 @default.
• W1149278872 cites W2319829554 @default.
• W1149278872 cites W2323403662 @default.
• W1149278872 cites W2332707434 @default.
• W1149278872 cites W2334437318 @default.
• W1149278872 cites W2334526920 @default.
• W1149278872 cites W2418869600 @default.
• W1149278872 cites W2950461856 @default.
• W1149278872 cites W2962784850 @default.
• W1149278872 cites W3023435578 @default.
• W1149278872 cites W3085478700 @default.
• W1149278872 cites W3144645171 @default.
• W1149278872 cites W4236051258 @default.
• W1149278872 cites W4376848506 @default.
• W1149278872 doi "https://doi.org/10.1021/jacs.5b04690" @default.
• W1149278872 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26264394" @default.
• W1149278872 hasPublicationYear "2015" @default.
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