A molecular dynamics simulation study to investigate poly(vinyl acetate)-poly(dimethyl siloxane) based easy-clean coating: An insight into the surface behavior and substrate interaction

Sethi, Sushanta K.; Soni, Lokesh; Shankar, Uday; Chauhan, R. P.; Manik, Gaurav

doi:10.1016/j.molstruc.2019.127342

Cited by 41 publications

(14 citation statements)

References 33 publications

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“…The main structural characteristics of PDMS are Si-O bond length, Si-O-Si angles (vide Figure 3), bond dissociation energy, and freedom of rotation. 78,79 Weak van der Waal's forces make them very maleable polymers with superior mechanical, chemical, and thermal features. Its small elastic modulus (E ≈ 5 MPa) is emerging as a stretchable substrate for electronics.…”

Section: Polydimethylsiloxanementioning

confidence: 99%

“…It is usually employed in OOED as an alternative glass substrate due to its optical clarity, high elasticity, flexibility, and strong adhesion. The main structural characteristics of PDMS are Si–O bond length, Si–O–Si angles (vide Figure 3), bond dissociation energy, and freedom of rotation 78,79 . Weak van der Waal's forces make them very maleable polymers with superior mechanical, chemical, and thermal features.…”

Section: Glass Like Polymeric Substratementioning

confidence: 99%

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A review on the alternative of indium tin oxide coated glass substrate in flexible and bendable organic optoelectronic device

Shankar

Oberoi

Bandyopadhyay

2022

Polymers for Advanced Techs

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Flexible and optically transparent electrodes (TEs) are essential for most state-of-art organic optoelectronic devices (OOED). The demand for bendable electronic devices with aesthetic impact and multi-functionality has driven the rapid development of flexible TEs with improved optoelectrical and mechanical properties. However, conventional rigid TEs, that is, indium tin oxide (ITO) coated glass substrate (ITO/glass), cannot match smart devices' requirements in unique fields, like electrochromic devices, electronic skins, and wearable electronics, foldable displays, smart windows, and solar cells. To substitute extensively used ITO/glass electrodes has been endeavored because of the increasing price and inherently brittle ITO and glass substrate behavior. Emerging TEs based on the combination of the polymers substrate and conducting fillers like graphene, carbon nanotubes, metal nanowires, and transparent conducting oxides are bendable, lightweight, and inexpensive. They have shown substantial prospects to be used in the devices mentioned above. With each tiny development in these emerging TE's, such as outstanding optoelectrical and mechanical features in flexible electrodes, they become more suitable for practical applications in miscellaneous bendable devices. This review summarizes the comprehensive overview of the modern alternative flexible TEs and their implementation in bendable and stretchable devices.

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Section: Polydimethylsiloxanementioning

confidence: 99%

Section: Glass Like Polymeric Substratementioning

confidence: 99%

A review on the alternative of indium tin oxide coated glass substrate in flexible and bendable organic optoelectronic device

Shankar

Oberoi

Bandyopadhyay

2022

Polymers for Advanced Techs

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“…In this line, Sethi et al [81] have first predicted the blend compatibility among poly(dimethylsiloxane) (PDMS) and poly(vinyl acetate) (PVAc) using MD simulations. Later on, the authors have predicted the easy-clean behavior of the PVAc-PDMS blend [82] and obtained a contact angle of 97 ± 1° for a 20:80 ratio of PVAc to PDMS. Owing to the incompatibility among polar PVAc and nonpolar PDMS, the authors have then grafted PVAc over PDMS, considering the same 20:80 concentration of PVAc to PDMS [83] .…”

Section: Application Of Molecular Dynamics (Md) Simulation In Sh Coat...mentioning

confidence: 99%

Recent Progress in Superhydrophobic Coatings Using Molecular Dynamics Simulations and Experimental Techniques

Sethi

2022

non-met. mater. sci.

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Superhydrophobic (SH) coatings are intended to resist a surface from corrosion and thereby increases the product life duration. It is also a promisingsolution to save cleaning costs and time by providing self-clean nature tothe surface. This review article provides the most recent updates in designing SH surfaces and their characterizations adopted both in experimentaland computational techniques. To gain a comprehensive perspective, theSH surfaces present in nature those are inspiring human beings to mimicsuch surfaces are introduced at the beginning of this article. Subsequently,different fabrication techniques undertaken recently to design artificial SHsurfaces are briefly discussed. Recent progress in computations employedin the development of SH surfaces is then discussed. Next, the limitationsin SH surfaces are addressed. Finally, perceptiveness of different strategiesand their limitations are presented in the concluding remarks and outlook.Overall, this mini review article brings together and highlights thesignificant advancements in fabrication of superhydrophobic surfaceswhich may surely help the early-stage researchers/scientists to plan theirwork accordingly.

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“…The functional group analysis of samples was assessed using FTIR (Bruker Vertex 70, Billerica, USA) in ATR (PIKE MIRacle ATR accessory, Madison, WI) mode. Interfacial interaction calculations were performed using the Forcite module of the commercially purchased Materials Studio software. , The detailed discussion regarding the molecular modeling approach has been presented in the Supporting Information (molecular modeling approach, Figures S3, S4, and Table S1). A GOTECH UTM-universal testing machine, operated at a constant crosshead speed of 0.1 mm/min, was used to test the mechanical compression properties of composite aerogel architectures by compressing the samples to 50% of their original thickness.…”

Section: Experimental Sectionmentioning

confidence: 99%

Microdesigned Nanocellulose-Based Flexible Antibacterial Aerogel Architectures Impregnated with Bioactive Cinnamomum cassia

Saini

Yadav

Sethi

et al. 2021

ACS Appl. Mater. Interfaces

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This work is strategically premeditated to study the potential of a herbal medicinal product as a natural bioactive ingredient to generate nanocellulose-based antibacterial architectures. In situ fibrillation of purified cellulose was done in cinnamon extract (ciE) to obtain microfibrillated cellulose (MFC). To this MFC suspension, carboxylated cellulose nanocrystals (cCNCs) were homogeneously mixed and the viscous gel thus obtained was freeze-dried to obtain lightweight and flexible composite aerogel architectures impregnated with ciE, namely, ciMFC/cCNCs. At an optimal concentration of 0.3 wt % cCNCs (i.e., for ciMFC/cCNCs_0.3), an improvement of around 106% in compressive strength and 175% increment in modulus were achieved as compared to pristine MFC architecture. The efficient loading and interaction of ciE components, specifically cinnamaldehyde, with MFC and cCNCs resulted in developing competent antibacterial surfaces with dense and uniform microstructures. Excellent and long-term antimicrobial activity of the optimized architectures (ciMFC/cCNCs_0.3) was confirmed through various antibacterial assays like the zone inhibition method, bacterial growth observation at OD600, minimum inhibitory concentration (MIC, here 1 mg/mL), minimum bactericidal concentration (MBC, here 3–5 mg/mL), and Live/Dead BacLight viability tests. The changes in the bacterial morphology with a disrupted membrane were further confirmed through various imaging techniques like confocal laser scanning microscopy, FESEM, AFM, and 3D digital microscopy. The dry composite architecture showed the persuasive capability of suppressing the growth of airborne bacteria, which in combination with antibacterial efficiency in the wet state is considered as an imperative aspect for a material to act as the novel biomaterial. Furthermore, these architectures demonstrated excellent antibacterial performance under real “in use” contamination prone conditions. Hence, this work provides avenues for the application of crude natural extracts in developing novel forms of advanced functional biomaterials that can be used for assorted biological/healthcare applications such as wound care and antimicrobial filtering units.

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A molecular dynamics simulation study to investigate poly(vinyl acetate)-poly(dimethyl siloxane) based easy-clean coating: An insight into the surface behavior and substrate interaction

Cited by 41 publications

References 33 publications

A review on the alternative of indium tin oxide coated glass substrate in flexible and bendable organic optoelectronic device

A review on the alternative of indium tin oxide coated glass substrate in flexible and bendable organic optoelectronic device

Recent Progress in Superhydrophobic Coatings Using Molecular Dynamics Simulations and Experimental Techniques

Microdesigned Nanocellulose-Based Flexible Antibacterial Aerogel Architectures Impregnated with Bioactive Cinnamomum cassia

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