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Koldemir U, Braid JL, Morgenstern A, et al. Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes. J Phys Chem Lett. 2015;6(12):2269-76doi: 10.1021/acs.jpclett.5b00420.
Koldemir, U., Braid, J. L., Morgenstern, A., Eberhart, M., Collins, R. T., Olson, D. C., & Sellinger, A. (2015). Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes. The journal of physical chemistry letters, 6(12), 2269-76. https://doi.org/10.1021/acs.jpclett.5b00420
Koldemir, Unsal, et al. "Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes." The journal of physical chemistry letters vol. 6,12 (2015): 2269-76. doi: https://doi.org/10.1021/acs.jpclett.5b00420
Koldemir U, Braid JL, Morgenstern A, Eberhart M, Collins RT, Olson DC, Sellinger A. Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes. J Phys Chem Lett. 2015 Jun 18;6(12):2269-76. doi: 10.1021/acs.jpclett.5b00420. Epub 2015 Jun 04. PMID: 26266603.
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J Phys Chem Lett. 2015 Jun 18;6(12):2269-76. doi: 10.1021/acs.jpclett.5b00420. Epub 2015 Jun 04.

Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes.

The journal of physical chemistry letters

Unsal Koldemir, Jennifer L Braid, Amanda Morgenstern, Mark Eberhart, Reuben T Collins, Dana C Olson, Alan Sellinger

Affiliations

  1. §National Renewable Energy Laboratory, Golden, Colorado 80401, United States.

PMID: 26266603 DOI: 10.1021/acs.jpclett.5b00420

Abstract

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.

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