Stabilization of Rocksalt CdSe at Atmospheric Pressures via Pseudomorphic Growth

详细信息    查看全文

• 作者：Mohnish Pandey ; Raj Ganesh S. Pala
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：April 18, 2013
• 年：2013
• 卷：117
• 期：15
• 页码：7643-7647
• 全文大小：230K
• 年卷期：v.117,no.15(April 18, 2013)
• ISSN：1932-7455

文摘

We analyze an approach toward stabilizing high-pressure rocksalt (RS) CdSe phases at atmospheric pressures using a ZnS core鈥揅dSe shell₁鈥揨nS 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.