Density-functional study of organic-inorganic hybrid single crystal ZnSe(C 2H 8N 2) 1/2

Huaxiang Fu; Jing Li

doi:10.1063/1.1665804

Density-functional study of organic-inorganic hybrid single crystal ZnSe(C ₂H ₈N ₂) _1/2

Huaxiang Fu, Jing Li

School of Arts and Sciences, Chemistry & Chemical Biology

Research output: Contribution to journal › Article › peer-review

37 Scopus citations

Abstract

The density functional analysis of complex organic-inorganic hybrid chalcogenide ZnSe(C ₂H ₈N ₂) _1/2 single crystals was presented. It was observed that the inorganic Zn-Se bonds changed little when going from the pure ZnSe to hybrid ZnSe(en) _1/2. The hybrid single crystal was found to has a direct band gap. It was also found that the the band-edge electronic states of the hybrid dominantly came from the inorganic semiconductor layers.

Original language	English (US)
Pages (from-to)	6721-6725
Number of pages	5
Journal	Journal of Chemical Physics
Volume	120
Issue number	14
DOIs	https://doi.org/10.1063/1.1665804
State	Published - Apr 8 2004

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.1665804

Cite this

@article{3c948d18b5914c448c86e501f39928da,

title = "Density-functional study of organic-inorganic hybrid single crystal ZnSe(C 2H 8N 2) 1/2 ",

abstract = "The density functional analysis of complex organic-inorganic hybrid chalcogenide ZnSe(C 2H 8N 2) 1/2 single crystals was presented. It was observed that the inorganic Zn-Se bonds changed little when going from the pure ZnSe to hybrid ZnSe(en) 1/2. The hybrid single crystal was found to has a direct band gap. It was also found that the the band-edge electronic states of the hybrid dominantly came from the inorganic semiconductor layers.",

author = "Huaxiang Fu and Jing Li",

year = "2004",

month = apr,

day = "8",

doi = "10.1063/1.1665804",

language = "English (US)",

volume = "120",

pages = "6721--6725",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "14",

}

TY - JOUR

T1 - Density-functional study of organic-inorganic hybrid single crystal ZnSe(C 2H 8N 2) 1/2

AU - Fu, Huaxiang

AU - Li, Jing

PY - 2004/4/8

Y1 - 2004/4/8

N2 - The density functional analysis of complex organic-inorganic hybrid chalcogenide ZnSe(C 2H 8N 2) 1/2 single crystals was presented. It was observed that the inorganic Zn-Se bonds changed little when going from the pure ZnSe to hybrid ZnSe(en) 1/2. The hybrid single crystal was found to has a direct band gap. It was also found that the the band-edge electronic states of the hybrid dominantly came from the inorganic semiconductor layers.

AB - The density functional analysis of complex organic-inorganic hybrid chalcogenide ZnSe(C 2H 8N 2) 1/2 single crystals was presented. It was observed that the inorganic Zn-Se bonds changed little when going from the pure ZnSe to hybrid ZnSe(en) 1/2. The hybrid single crystal was found to has a direct band gap. It was also found that the the band-edge electronic states of the hybrid dominantly came from the inorganic semiconductor layers.

UR - http://www.scopus.com/inward/record.url?scp=2342470772&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=2342470772&partnerID=8YFLogxK

U2 - 10.1063/1.1665804

DO - 10.1063/1.1665804

M3 - Article

C2 - 15267565

AN - SCOPUS:2342470772

SN - 0021-9606

VL - 120

SP - 6721

EP - 6725

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 14

ER -

Density-functional study of organic-inorganic hybrid single crystal ZnSe(C ₂H ₈N ₂) _1/2

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this