Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes

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• 作者：Unsal Koldemir ; Jennifer L. Braid ; Amanda Morgenstern ; Mark Eberhart ; Reuben T. Collins ; Dana C. Olson ; Alan Sellinger
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2015
• 出版时间：June 18, 2015
• 年：2015
• 卷：6
• 期：12
• 页码：2269-2276
• 全文大小：328K
• ISSN：1948-7185

文摘

In this Perspective, we provide a brief background on the use of aromatic phosphonic acid modifiers for tuning work functions of transparent conducting oxides, for example, zinc oxide (ZnO) and indium tin oxide (ITO). We then introduce our preliminary results in this area using conjugated phosphonic acid molecules, having a substantially larger range of dipole moments than their unconjugated analogues, leading to the tuning of ZnO and ITO electrodes over a 2 eV range as derived from Kelvin probe measurements. We have found that these work function changes are directly correlated to the magnitude and the direction of the computationally derived molecular dipole of the conjugated phosphonic acids, leading to the predictive power of computation to drive the synthesis of new and improved phosphonic acid ligands.