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Rescaling of metal oxide nanocrystals for energy storage having high capacitance and energy density with robust cycle life.


ABSTRACT: Nanocrystals are promising structures, but they are too large for achieving maximum energy storage performance. We show that rescaling 3-nm particles through lithiation followed by delithiation leads to high-performance energy storage by realizing high capacitance close to the theoretical capacitance available via ion-to-atom redox reactions. Reactive force-field (ReaxFF) molecular dynamics simulations support the conclusion that Li atoms react with nickel oxide nanocrystals (NiO-n) to form lithiated core-shell structures (Ni:Li2O), whereas subsequent delithiation causes Ni:Li2O to form atomic clusters of NiO-a. This is consistent with in situ X-ray photoelectron and optical spectroscopy results showing that Ni(2+) of the nanocrystal changes during lithiation-delithiation through Ni(0) and back to Ni(2+). These processes are also demonstrated to provide a generic route to rescale another metal oxide. Furthermore, assembling NiO-a into the positive electrode of an asymmetric device enables extraction of full capacitance for a counter negative electrode, giving high energy density in addition to robust capacitance retention over 100,000 cycles.

SUBMITTER: Jeong HM 

PROVIDER: S-EPMC4491738 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Rescaling of metal oxide nanocrystals for energy storage having high capacitance and energy density with robust cycle life.

Jeong Hyung Mo HM   Choi Kyung Min KM   Cheng Tao T   Lee Dong Ki DK   Zhou Renjia R   Ock Il Woo IW   Milliron Delia J DJ   Goddard William A WA   Kang Jeung Ku JK  

Proceedings of the National Academy of Sciences of the United States of America 20150615 26


Nanocrystals are promising structures, but they are too large for achieving maximum energy storage performance. We show that rescaling 3-nm particles through lithiation followed by delithiation leads to high-performance energy storage by realizing high capacitance close to the theoretical capacitance available via ion-to-atom redox reactions. Reactive force-field (ReaxFF) molecular dynamics simulations support the conclusion that Li atoms react with nickel oxide nanocrystals (NiO-n) to form lith  ...[more]

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