Energetics of MnO 2 polymorphs in density functional theory

Kitchaev, Daniil A.; Peng, Haowei; Liu, Yun; Sun, Jianwei; Perdew, John P.; Ceder, Gerbrand

doi:10.1103/PhysRevB.93.045132

Energetics of ${MnO}_{2}$ polymorphs in density functional theory

Journal Article · Mon Jan 25 23:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.045132· OSTI ID:1236091

Kitchaev, Daniil A.; Peng, Haowei; Liu, Yun; Sun, Jianwei; Perdew, John P.; Ceder, Gerbrand

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0012575; AC36-99GO10337

OSTI ID:: 1236091

Alternate ID(s):: OSTI ID: 1371109

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 4 Vol. 93; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Energetics of ${MnO}_{2}$ polymorphs in density functional theory

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Energetics of MnO 2 polymorphs in density functional theory

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Energetics of ${MnO}_{2}$ polymorphs in density functional theory