Stabilization of Rocksalt CdSe at Atmospheric Pressures via Pseudomorphic Growth

Mohnish Pandey, Raj Ganesh S. Pala

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

We analyze an approach toward stabilizing high-pressure rocksalt (RS) CdSe phases at atmospheric pressures using a ZnS core–CdSe shell1–ZnS shell2 architecture. The approach exploits the lattice mismatch between ZnS core and CdSe shell1, which generates bulk stress in the CdSe shell1 in wurtzite structure, thus driving the transition of wurtzite shell1 to RS shell1 to release the stress from the system, leading to the stabilization of the CdSe RS phase. Density functional computations suggest that a coherent interface between ZnS/CdSe and the sufficiently large unstrained ZnS core is an important ingredient for this synthetic strategy.
Original languageEnglish
JournalThe Journal of Physical Chemistry Part C
Volume117
Issue number15
Pages (from-to)7643-7647
Number of pages5
ISSN1932-7447
DOIs
Publication statusPublished - 2013
Externally publishedYes

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