Work function reduction by a redox-active organometallic sandwich complex

Hyla, Alexander S.; Winget, Paul; Li, Hong; Risko, Chad; Brédas, Jean‐Luc

doi:10.1016/j.orgel.2016.06.034

Cited by 3 publications

(2 citation statements)

References 51 publications

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“…Table I summarizes the results, which are in agreement with those reported in the literature. [81][82][83] XRD results from the Al-Si-Au standard showed a dominant peak of gold in the (111) orientation. From these results, 5.12 eV was used as the calculated work function of the gold on the standard.…”

Section: Resultsmentioning

confidence: 99%

Toward Improving Ambient Volta Potential Measurements with SKPFM for Corrosion Studies

Efaw

Silva

Davis

et al. 2019

J. Electrochem. Soc.

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Scanning Kelvin probe force microscopy (SKPFM) is used in corrosion studies to quantify the relative nobility of different mi crostructural features present within complex metallic systems and thereby elucidate possible corrosion initiation sites. However, Volta potential differences (VPDs) measured via SKPFM in the literature for metal alloys exhibit large variability, making inter pretation and application for corrosion studies difficult. We have developed an improved method for referencing SKPFM VPDs by quantifying the closely related work function of the probe relative to an inert gold standard whose modified work function is calculated via density functional theory (DFT). By measuring and tracking changes in the probe vs. gold VPD, this method compensates for some of the complex effects that cause changes in an individual probe's work function. Furthermore, it provides a path toward direct, quantitative comparison of SKPFM results obtained by different researchers. Application of this method to a Cu-Ag-Ti eutectic braze of a steel sample imaged with multiple SKPFM probes of differing compositions led to enhanced repeatability both within and among probe types, as well as enabled the calculation of modified work function values for each of the microstructural constituents present.

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Section: Resultsmentioning

confidence: 99%

Toward Improving Ambient Volta Potential Measurements with SKPFM for Corrosion Studies

Efaw

Silva

Davis

et al. 2019

J. Electrochem. Soc.

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show abstract

“…First-principle studies on ITO has been conducted mostly by using the Vienna ab initio simulation package (VASP) [ 89 , 90 , 91 , 92 ]. Other chemical software such as quantum espresso (QE) [ 93 ], Spanish initiative for electronic simulations with thousands of atoms (SIESTA) [ 94 ], and DMol3 [ 95 ] are also used.…”

Section: Computational Methods To Study the Surface Properties Of The Itomentioning

confidence: 99%

The Impact of the Surface Modification on Tin-Doped Indium Oxide Nanocomposite Properties

et al. 2022

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This review provides an analysis of the theoretical methods to study the effects of surface modification on structural properties of nanostructured indium tin oxide (ITO), mainly by organic compounds. The computational data are compared with experimental data such as X-ray diffraction (XRD), atomic force microscopy (AFM) and energy-dispersive X-ray spectroscopy (EDS) data with the focus on optoelectronic and electrocatalytic properties of the surface to investigate potential relations of these properties and applications of ITO in fields such as biosensing and electronic device fabrication. Our analysis shows that the change in optoelectronic properties of the surface is mainly due to functionalizing the surface with organic molecules and that the electrocatalytic properties vary as a function of size.

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Repairing Interfacial Defects in Self‐Assembled Monolayers for High‐Efficiency Perovskite Solar Cells and Organic Photovoltaics through the SAM@Pseudo‐Planar Monolayer Strategy

Hung,

Wu,

Yang

et al. 2024

Advanced Science

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Lately, carbazole‐based self‐assembled monolayers (SAMs) are widely employed as effective hole‐selective layers (HSLs) in inverted perovskite solar cells (PSCs). Nevertheless, these SAMs tend to aggregate in solvents due to their amphiphilic nature, hindering the formation of a monolayer on the ITO substrate and impeding effective passivation of deep defects in the perovskites. In this study, a series of new SAMs including DPA‐B‐PY, CBZ‐B‐PY, POZ‐B‐PY, POZ‐PY, POZ‐T‐PY, and POZ‐BT‐PY are synthesized, which are employed as interfacial repairers and coated atop CNph SAM to form a robust CNph SAM@pseudo‐planar monolayer as HSL in efficient inverted PSCs. The CNph SAM@pseudo‐planar monolayer strategy enables a well‐aligned interface with perovskites, synergistically promoting perovskite crystal growth, improving charge extraction/transport, and minimizing nonradiative interfacial recombination loss. As a result, the POZ‐BT‐PY‐modified PSC realizes an impressively enhanced solar efficiency of up to 24.45% together with a fill factor of 82.63%. Furthermore, a wide bandgap PSC achieving over 19% efficiency. Upon treatment with the CNph SAM@pseudo‐planar monolayer, also demonstrates a non‐fullerene organic photovoltaics (OPVs) based on the PM6:BTP‐eC9 blend, which achieves an efficiency of 17.07%. Importantly, these modified PSCs and OPVs all show remarkably improved stability under various testing conditions compared to their control counterparts.

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Work function reduction by a redox-active organometallic sandwich complex

Cited by 3 publications

References 51 publications

Toward Improving Ambient Volta Potential Measurements with SKPFM for Corrosion Studies

Toward Improving Ambient Volta Potential Measurements with SKPFM for Corrosion Studies

The Impact of the Surface Modification on Tin-Doped Indium Oxide Nanocomposite Properties

Repairing Interfacial Defects in Self‐Assembled Monolayers for High‐Efficiency Perovskite Solar Cells and Organic Photovoltaics through the SAM@Pseudo‐Planar Monolayer Strategy

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