Influence of intermolecular interactions on the infrared complex indices of refraction for binary liquid mixtures

Myers, Tanya L.; Bernacki, Bruce E.; Wilhelm, Michael J.; Jensen, Karissa; Johnson, Timothy J.; Primera-Pedrozo, Oliva M.; Tonkyn, Russel; Burton, Sarah D.; Bradley, Ashley M.; Smith, Steven C.

doi:10.1039/d2cp02920k

Cited by 8 publications

(7 citation statements)

References 60 publications

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“…[ 22 ] For the CMP analogous spectra, the broad peak between 1026 cm –1 and 1132 cm –1 is assigned to the phosphate group, which can be attributed to the interactions of the anchor groups with the ZnO nps surface calculated from VASAP discussed earlier. [ 23‐24 ]…”

Section: Resultsmentioning

confidence: 99%

“…[ [23][24] The atomic force microscopy (AFM) topography images in Figures 2a-c of ZnO, ZnO@CMP-ONa, and ZnO@CMP-OH films revealed the root mean square (RMS) measurements of 2.23, 1.56, and 1.18 nm, respectively. A smoothened surface with high surface energy would produce better film morphology for the active layer.…”

Section: Interactions Between Biomolecules and Zno Thin Filmmentioning

confidence: 99%

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Multi‐site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and Highly Stable Organic Solar Cells

Ismail,

Khalil,

Gao

et al. 2024

Chin. J. Chem.

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Comprehensive SummaryZnO nanoparticles (nps) among metal oxide (MOs) are proven to be essential electron transporting layers (ETLs) applied in organic solar cells (OSCs). However, intrinsic defects, interfacial charge recombination, and catalytic behavior towards the active layer restrict the applications of ZnO nps for efficient and long‐term stable OSCs. The commonly available biomolecule cytidine 5'‐monophosphate (CMP‐OH) with phosphonic acid, its salt cytidine 5'‐monophosphate disodium salt (CMP‐ONa) with a phosphate group as an anchoring group and conjugated terminal functional in both analogous molecules provide carrier transfer bridge at bottom interface of the active layer. Systematized theoretical investigations and characterizations have discovered the multi‐site coordination of CMP‐OH towards acceptor molecules and ZnO nps. The dual‐side alignment of CMP analogous molecules hinders interfacial charge recombination and enhances charge transfer potential at once. Inevitably, PM6:L8‐BO‐based OSCs with modified ETL obtain 18.13% efficiency, 12% higher than that of unmodified nps. Besides higher efficiency, CMP‐OH‐based OSC devices illustrate remarkably improved thermal stability for 500 h at 85 °C with 72% of initial PCE and operation stability for 2000 h with 90.1% of initial PCE. This work reveals the passivation mechanism of multi‐anchoring groups towards MOs and single‐functional groups towards the active layer to optimize the interface for efficient and highly stable OSCs.

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Section: Resultsmentioning

confidence: 99%

Section: Interactions Between Biomolecules and Zno Thin Filmmentioning

confidence: 99%

Multi‐site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and Highly Stable Organic Solar Cells

Ismail,

Khalil,

Gao

et al. 2024

Chin. J. Chem.

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“…Also, for solids, certain studies may focus primarily on crystalline solids as a target analyte, and as noted, crystals often have narrower bands as opposed to their amorphous counterparts. Conversely, other studies may have as their focus liquid solutions, 90 specifically aqueous solutions that are known to have very broad bands. 8 For example, the sodium hypochlorite solutions analyzed in the current study exhibited a few 500 cm −1 wide bands.…”

Section: Discussionmentioning

confidence: 99%

Optimal Spectral Resolution for Infrared Studies of Solids and Liquids

Forland,

Hughey,

Wilhelm

et al. 2024

Appl Spectrosc

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Due to a legacy originating in the limited capability of early computers, the spectroscopic resolution used in Fourier transform infrared spectroscopy and other systems has largely been implemented using only powers of two for more than 50 years. In this study, we investigate debunking the spectroscopic lore of, e.g., using only 2, 4, 8, or 16 cm−1 resolution and determine the optimal resolution in terms of both (i) a desired signal-to-noise ratio and (ii) efficient use of acquisition time. The study is facilitated by the availability of solids and liquids reference spectral data recorded at 2.0 cm−1 resolution and is based on an examination in the 4000–400 cm−1 range of 61 liquids and 70 solids spectra, with a total analysis of 4237 peaks, each of which was also examined for being singlet/multiplet in nature. Of the 1765 liquid bands examined, only 27 had widths <5 cm−1. Of the 2472 solid bands examined, only 39 peaks have widths <5 cm−1. For both the liquid and solid bands, a skewed distribution of peak widths was observed: For liquids, the mean peak width was 24.7 cm−1 but the median peak width was 13.7 cm−1, and, similarly, for solids, the mean peak width was 22.2 cm−1 but the median peak width was 11.2 cm−1. While recognizing other studies may differ in scope and limiting the analysis to only room temperature data, we have found that a resolution to resolve 95% of all bands is 5.7 cm−1 for liquids and 5.3 cm−1 for solids; such a resolution would capture the native linewidth (not accounting for instrumental broadening) for 95% of all the solids and liquid bands, respectively. After decades of measuring liquids and solids at 4, 8, or 16 cm−1 resolution, we suggest that, when accounting only for intrinsic linewidths, an optimized resolution of 6.0 cm−1 will capture 91% of all condensed-phase bands, i.e., broadening of only 9% of the narrowest of bands, but yielding a large gain in signal-to-noise with minimal loss of specificity.

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“…On the other hand, both R-BN and S-BN templating caused broadening and reduction in the C═O stretching peak, suggesting some of the polymer chains strongly interact with the BN molecules via hydrogen bonding between the ketone and the hydroxyl group. [27,28] Additionally, four chiral BN derivatives (as shown in Figure S2c−f in the Supporting Information) were evaluated for the chiral templating. Upon the optimization, the parent BN exhibited the highest CD amplification due to their strong intermolecular noncovalent interactions with the conjugated polymers (Figure S12, Supporting Information).…”

Section: Electrochromic Chiral Polymer Filmsmentioning

confidence: 99%

Chiroptical Switching of Electrochromic Polymer Thin Films

Song,

You,

Chen

et al. 2023

Advanced Materials

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The interaction between light and chiroptical polymers plays a crucial role in chiroptics, spintronics, and chiral‐spin selectivity. Despite considerable successes in creating dissymmetric polymer films, the elucidation of chiroptical activities under electrochemical switching remains unexplored. Here we report homogeneous chiral electrochromics using chiral assembly of conjugated polymers through a transient solidification process with molecular chiral templates. In their neutral state, the chiral electrochromic polymers directly produce a remarkably dissymmetric polarization‐dependent transmittance. The circular dichroism (CD) and dissymmetric transmission can be tuned by adjusting the doping level of the electrochemically active polymer films. Under high levels of oxidation, the chiroptical activities are reversed with strong bleaching in the visible, leading to formation of monosignate CD spectra over the infrared region. The matching between circular polarization handedness and chirality of chiroptical polymers makes a distinct impact on optical contrast and color switching dynamics due to the flipped chiroptical activities through polymer redox reactions. The differential circularly polarized transmission in the chiral see‐through display can make a well‐resolved color change in human eyes, demonstrating proof‐of‐concept devices for 3D imaging and information encryption. Our work serves as a foundation to develop advanced on‐chip fabrication of circular polarization‐multiplexed display in flexible and highly integrated platforms.This article is protected by copyright. All rights reserved

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Influence of intermolecular interactions on the infrared complex indices of refraction for binary liquid mixtures

Abstract: This paper investigates the accuracy of identifying binary liquid mixtures via reflectance spectroscopy (either contact or standoff) using spectra derived from only the complex indices of refraction of the neat...

Cited by 8 publications

References 60 publications

Multi‐site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and Highly Stable Organic Solar Cells

Multi‐site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and Highly Stable Organic Solar Cells

Optimal Spectral Resolution for Infrared Studies of Solids and Liquids

Chiroptical Switching of Electrochromic Polymer Thin Films

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