Structural and vibrational properties of α -MoO 3 from van der Waals corrected density functional theory calculations

Ding, Hong; Ray, Keith G.; Ozolins, Vidvuds; Asta, Mark

doi:10.1103/PhysRevB.85.012104

Title: Structural and vibrational properties of $α$ -MoO $_{3}$ from van der Waals corrected density functional theory calculations

Journal Article · Sun Jan 01 00:00:00 EST 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.85.012104· OSTI ID:1381381

Ding, Hong; Ray, Keith G.; Ozolins, Vidvuds; Asta, Mark

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Molecularly Engineered Energy Materials (MEEM)

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

DOE Contract Number:: SC0001342

OSTI ID:: 1381381

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 85, Issue 1; Related Information: MEEM partners with University of California, Los Angeles (lead); University of California, Berkeley; Eastern Washington University; University of Kansas; National Renewable Energy Laboratory; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (32)

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Title: Structural and vibrational properties of α -MoO 3 from van der Waals corrected density functional theory calculations

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References (32)

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Title: Structural and vibrational properties of $α$ -MoO $_{3}$ from van der Waals corrected density functional theory calculations