Work function reduction by a redox-active organometallic sandwich complex

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Work function reduction by a redox-active organometallic sandwich complex

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作者：Alexander S. Hyla^a ; ^b ; Paul Winget^a ; Hong Li^a ; ^b ; Chad Risko^a ; ¹ ; Jean-Luc Bré ; das^b ; ^{jean-luc.bredas@kaust.edu.sa" class="auth_mail" title="E-mail the corresponding author}
关键词：Work function reduction ; Metallocene dimers ; Density functional theory
刊名：Organic Electronics
出版年：2016
出版时间：October 2016
年：2016
卷：37
期：Complete
页码：263-270
全文大小：1281 K

文摘

•: We examine via DFT calculations the impact of strongly reducing metallocene complexes on the work function of gold and ITO.
•: The IrCpCp* monomer can lower the work functions of both surfaces by about 1.2–1.3 eV, while the dimer has much lower effect.
•: The large work function change induced by IrCpCp* monomer comes from a large interface dipole due to charge transfer.

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