Inorganic double-helix structures of unusually simple lithium-phosphorus species

Alexander S. Ivanov, Andrew J. Morris, Konstantin V. Bozhenko, Chris J. Pickard, Alexander I. Boldyrev

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

Theoretical evidence: The existence of inorganic double-helix structures at the atomic level is theoretically predicted. An unbiased quantum-chemical search for the global minimum structures of Li xP x (x=5-9) species is performed. For the Li 7P 7-Li 9P 9 stoichiometries the global minimum structure has a peculiar double-helix form.

Original languageEnglish
Pages (from-to)8330-8333
Number of pages4
JournalAngewandte Chemie - International Edition
Volume51
Issue number33
DOIs
StatePublished - Aug 13 2012
Externally publishedYes

Funding

FundersFunder number
National Science Foundation1057746
Engineering and Physical Sciences Research CouncilEP/G007489/2

    Keywords

    • ab initio calculations
    • clusters
    • helical structures
    • lithium
    • phosphorus

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