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Quantitative Evaluation of Molecular Diffusion in Organic Planar Heterojunctions by Time-of-Flight Secondary Ion Mass Spectroscopy.

ABSTRACT: Understanding molecular diffusion across the interfaces in planar heterojunctions is fundamentally important to improving the performance and stability of organic electronic devices. In this study, we quantitatively evaluated the diffusion of [6,6]-phenyl-C₆₁-butyric acid methyl ester (PCBM) across the interface of planar heterojunctions into the polymer layers by time-of-flight secondary ion mass spectroscopy. Careful calibration allowed the concentration of PCBM to be determined in the polymer layer at concentrations as low as 0.01 wt %. We found that approximately 1 wt % PCBM was present in the poly(3-hexylthiophene) layer in the planar heterojunction with no thermal treatments, indicating that a small amount of PCBM diffused into the polymer layer even at room temperature. The diffusion behavior depended strongly on the crystallinity of the PCBM layer and the properties of the polymer layers such as glass transition temperature. Further analysis suggested that the diffusion of PCBM into the polymer layers was also related to the interface free energy between the layers.

SUBMITTER: Nakano K

PROVIDER: S-EPMC6641331 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature

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Quantitative Evaluation of Molecular Diffusion in Organic Planar Heterojunctions by Time-of-Flight Secondary Ion Mass Spectroscopy.

Nakano Kyohei K Shibamori Takahiro T Tajima Keisuke K

ACS omega 20180205 2

Understanding molecular diffusion across the interfaces in planar heterojunctions is fundamentally important to improving the performance and stability of organic electronic devices. In this study, we quantitatively evaluated the diffusion of [6,6]-phenyl-C<sub>61</sub>-butyric acid methyl ester (PCBM) across the interface of planar heterojunctions into the polymer layers by time-of-flight secondary ion mass spectroscopy. Careful calibration allowed the concentration of PCBM to be determined in ...[more]

PMID: 31458477

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Project description:N-Hydroxysuccinimide (NHS) esters are widely used as leaving groups to activate covalent coupling of amine-containing biomolecules onto surfaces in academic and commercial surface immobilizations. Their intrinsic hydrolytic instability is well-known and remains a concern for maintaining stable, reactive surface chemistry, especially for reliable longer term storage. In this work, we use X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate surface hydrolysis in NHS-bearing organic thin films. Principal component analysis (PCA) of both positive and negative ion TOF-SIMS data was used to correlate changes in the well-defined NHS ester oligo(ethylene glycol) (NHS-OEG) self-assembled monolayers to their surface treatment. From PCA results, multivariate peak intensity ratios were developed for monitoring NHS reactivity, thin-film thickness, and oxidation of the monolayers during surface hydrolysis. Aging in ambient air for up to 7 days resulted in hydrolysis of some fraction of bound NHS groups, oxidation of some resident thiol groups, and deposition of adventitious hydrocarbon contaminants onto the monolayers. Overnight film immersion under water produced complete hydrolysis and removal of the NHS chemistry, as well as removal of some of the thiolated OEG chains. NHS regeneration of the hydrolyzed surfaces was assessed using the same multivariable peak intensity ratio as well as surface coupling with amine-terminated molecules. Both aqueous and organic NHS regeneration methods produced surfaces with bound NHS concentrations approximately 50% of the bound NHS concentration on freshly prepared NHS-OEG monolayers. Precise methods for quantifying NHS chemistry on surfaces are useful for quality control processes required in surface technologies that rely on reliable and reproducible reactive ester coupling. These applications include microarray, microfluidic, immunoassay, bioreactor, tissue engineer-ing, and biomedical device fabrication.

Project description:BackgroundTime-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is a surface sensitive mass spectrometry technique with potential strengths as a method for detecting enzymatic activity on solid materials. In particular, ToF-SIMS has been applied to detect the enzymatic degradation of woody lignocellulose. Proof-of-principle experiments previously demonstrated the detection of both lignin-degrading and cellulose-degrading enzymes on solvent-extracted hardwood and softwood. However, these preliminary experiments suffered from low sample throughput and were restricted to samples which had been solvent-extracted in order to minimize the potential for mass interferences between low molecular weight extractive compounds and polymeric lignocellulose components.ResultsThe present work introduces a new, higher-throughput method for processing powdered wood samples for ToF-SIMS, meanwhile exploring likely sources of sample contamination. Multivariate analysis (MVA) including Principal Component Analysis (PCA) and Multivariate Curve Resolution (MCR) was regularly used to check for sample contamination as well as to detect extractives and enzyme activity. New data also demonstrates successful ToF-SIMS analysis of unextracted samples, placing an emphasis on identifying the low-mass secondary ion peaks related to extractives, revealing how extractives change previously established peak ratios used to describe enzyme activity, and elucidating peak intensity patterns for better detection of cellulase activity in the presence of extractives. The sensitivity of ToF-SIMS to a range of cellulase doses is also shown, along with preliminary experiments augmenting the cellulase cocktail with other proteins.ConclusionsThese new procedures increase the throughput of sample preparation for ToF-SIMS analysis of lignocellulose and expand the applications of the method to include unextracted lignocellulose. These are important steps towards the practical use of ToF-SIMS as a tool to screen for changes in plant composition, whether the transformation of the lignocellulose is achieved through enzyme application, plant mutagenesis, or other treatments.

Dataset Information

Quantitative Evaluation of Molecular Diffusion in Organic Planar Heterojunctions by Time-of-Flight Secondary Ion Mass Spectroscopy.

Publications

Quantitative Evaluation of Molecular Diffusion in Organic Planar Heterojunctions by Time-of-Flight Secondary Ion Mass Spectroscopy.

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