Abstract
A new group of hybrid organic - inorganic materials, A IIB VI(en) 0.5 (A = Zn and Cd and B = S, Se, and Te), have been shown to exhibit a number of unusual structurally dependent properties that are not typically found in conventional inorganic and organic materials. However, it is puzzling that for a given inorganic component the hybrid crystal comes in different phases and often favors one over another. Using first-principles methods, we study the structural and electronic properties (e.g., stability and band gap) of the three observed phases: αI, αII, and β. The general chemical trends are revealed and are consistent with experimental observations. A kinetic growth model is proposed to explain the experimental observation of the phase selection for these hybrid materials.
Original language | English |
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Pages (from-to) | 2805-2809 |
Number of pages | 5 |
Journal | Chemistry of Materials |
Volume | 18 |
Issue number | 12 |
DOIs | |
Publication status | Published - Jun 13 2006 |
ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Materials Chemistry