Defect-Driven Interfacial Electronic Structures at an Organic/Metal-Oxide Semiconductor Heterojunction

被引：43

作者：

Winget, Paul ^{[1
,2
]}

Schirra, Laura K. ^{[3
]}

Cornil, David ^{[1
,2
]}

Li, Hong ^{[1
]}

Coropceanu, Veaceslav ^{[1
,2
]}

Ndione, Paul F. ^{[4
]}

Sigdel, Ajaya K. ^{[4
]}

Ginley, David S. ^{[4
]}

Berry, Joseph J. ^{[4
]}

Shim, Jaewon ^{[2
,5
]}

Kim, Hyungchui ^{[2
,5
]}

Kippelen, Bernard ^{[2
,5
]}

Bredas, Jean-Luc ^{[1
,2
,6
]}

Monti, Oliver L. A. ^{[3
]}

机构：

[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[2] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA

[3] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA

[4] Natl Renewable Energy Lab, Golden, CO 80401 USA

[5] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA

[6] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia

来源：

ADVANCED MATERIALS | 2014年 / 26卷 / 27期

关键词：

TOTAL-ENERGY CALCULATIONS; ZINC-OXIDE; ZNO NANOSTRUCTURES; WORK FUNCTION; POINT-DEFECTS; METAL-OXIDE; SURFACE; 10(1)OVER-BAR0; MORPHOLOGY; SPECTRA;

D O I：

10.1002/adma.201305351

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties.

引用

页码：4711 / +

页数：7

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