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 |
|---|---|
| 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 |
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ASJC Scopus subject areas
- Materials Chemistry
- Materials Science(all)
Cite this
Study of phase selectivity of organic-inorganic hybrid semiconductors. / Moon, Chang Youn; Dalpian, Gustavo M.; Zhang, Yong; Wei, Su Huai; Huang, Xiao Ying; Li, Jing.
In: Chemistry of Materials, Vol. 18, No. 12, 13.06.2006, p. 2805-2809.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Study of phase selectivity of organic-inorganic hybrid semiconductors
AU - Moon, Chang Youn
AU - Dalpian, Gustavo M.
AU - Zhang, Yong
AU - Wei, Su Huai
AU - Huang, Xiao Ying
AU - Li, Jing
PY - 2006/6/13
Y1 - 2006/6/13
N2 - 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.
AB - 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.
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U2 - 10.1021/cm0603811
DO - 10.1021/cm0603811
M3 - Article
VL - 18
SP - 2805
EP - 2809
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 12
ER -