Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.
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.
School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia, 30332-0400.
Paul
P
Winget
Laura K
LK
Schirra
David
D
Cornil
Hong
H
Li
Veaceslav
V
Coropceanu
Paul F
PF
Ndione
Ajaya K
AK
Sigdel
David S
DS
Ginley
Joseph J
JJ
Berry
Jaewon
J
Shim
Hyungchui
H
Kim
Bernard
B
Kippelen
Jean-Luc
JL
Brédas
Oliver L A
OL
Monti
D004579:Electron Transport; D004583:Electrons; D007094:Imides / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D010569:Perylene / Q000031:analogs & derivatives* / Q000737:chemistry; D012666:Semiconductors; D013499:Surface Properties; D015034:Zinc Oxide / Q000737:chemistry*
D007094:Imides; C517085:perylenetetracarboxylic diimide; D010569:Perylene; D015034:Zinc Oxide
PTCDI; ZnO; interfacial electronic structure; organic semiconductor; surface defects