Unconventional Long-Range Cation Ordering in Copper Selenide Nanocrystals

Jaeyoung Heo, Daniel Dumett Torres, Prashant K. Jain

Research output: Contribution to journalArticle

Abstract

Cu 2 Se is an earth-abundant ionic conductor with potential applications in solid electrolytes and thermoelectric devices.The ion transport characteristics of this solid are closely linked to the structural arrangement of the Cu + . While the peculiar structure of bulk Cu 2-x Se has been extensively studied, high-resolution electron microscopy (HRTEM) investigation of Cu 2-x Se nanocrystals (NC) reveals a Cu + superlattice with an unusually longrange periodicity that is not known in the bulk solid. Density functional theory (DFT) indicates that this unconventional cation arrangement is metastable but may become favored in the presence of a Cu-deficient composition or a nanoscale morphology.

Original languageEnglish (US)
Pages (from-to)68-72
Number of pages5
JournalChemistry of Materials
Volume31
Issue number1
DOIs
StatePublished - Jan 8 2019

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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