Molecular dynamics simulations of the adsorption of polymer chains on graphyne and its family

Mehran, S.; Rouhi, S.; Salmalian, Kaveh

doi:10.1016/j.physb.2014.08.017

Cited by 19 publications

(5 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Because of the porous character of GYs, the adsorption strength of compounds onto GYs’ surfaces was anticipated to be much lower than that onto graphene (a perfect π-extended system). ,,− The adsorption of polycyclic aromatic hydrocarbons (PAHs) onto low-dimensional carbon allotropes has been of interest, because PAHs can be used as nonaggressive dopant molecules to tune the electronic character of carbon materials. DFT calculations were implemented by Cortés-Arriagada to expand the knowledge about GY and its interaction with PAHs (Figure a–c) .…”

Section: Preparation and Characterizationmentioning

confidence: 99%

Progress in Research into 2D Graphdiyne-Based Materials

et al. 2018

View full text Add to dashboard Cite

Graphynes (GYs) are carbon allotropes with single-atom thickness that feature layered 2D structure assembled by carbon atoms with sp - and sp - hybridization form. Various functional theories have predicted GYs to have natural band gap with Dirac cones structure, presumably originating from inhomogeneous π-bonding between those carbon atoms with different hybridization and overlap of the carbon 2p orbitals. Among all the GYs, graphdiyne (GDY) was the first reported to be prepared practically and, hence, attracted the attention of many researchers toward this new planar, layered material, as well as other GYs. Several approaches have been reported to be able to modify the band gap of GDY, containing invoking strain, boron/nitrogen doping, nanoribbon architectures, hydrogenation, and so on. GDY has been well-prepared in many different morphologies, like nanowires, nanotube arrays, nanowalls, nanosheets, ordered stripe arrays, and 3D framwork. The fascinating structure and electronic properties of GDY make it a potential candidate carbon material with many applications. It has recently revealed the practicality of GDY as catalyst; in rechargeable batteries, solar cells, electronic devices, magnetism, detector, biomedicine, and therapy; and for gas separation as well as water purification.

show abstract

Section: Preparation and Characterizationmentioning

confidence: 99%

Progress in Research into 2D Graphdiyne-Based Materials

et al. 2018

View full text Add to dashboard Cite

show abstract

“…In the current study, nanosilica (∼175−225 m 2 /g) and GO (∼2590 m 2 /g) are used. According to the previous reports, 32 GO has more surface area and hence a high contact area with the polymer chains; consequently, more chains will be immobilized. 33 As mentioned earlier, the higher d-spacing of the GO sheets in GSH further immobilizes more chain on them.…”

Section: X-ray Diffraction Studies (Xrd)mentioning

confidence: 85%

Insights into the Synergistic Effect of Graphene Oxide/Silica Hybrid Nanofiller for Advancing the Properties of Epoxy Resin

George,

Vijayan P,

Ponçot

et al. 2024

ACS Appl. Polym. Mater.

View full text Add to dashboard Cite

Tuning the interfacial interaction between the filler and the matrix is essential to fabricate high-performance polymer nanocomposites. Herein, a hybrid nanofiller based on graphene oxide (GO) and nanosilica (SiO2) was prepared via electrostatic charge attraction. Amine-functionalized nanosilica was decorated over the surface of the GO sheet via simple aqueous mixing. The hybrid nanofiller approach of GO with nanosilica reduces the cohesive force between the GO sheets, facilitating better dispersion and thereby enhancing the properties of epoxies (preventing GO–GO and silica–silica agglomeration). The high-resolution transmission electron microscopy showed that the d spacing between GO sheets in the GO-SiO2 hybrid nanofiller (0.32 ± 0.70 nm) was higher than that in pristine GO. The synergistic effect of GO and nanosilica in the GO-SiO2 hybrid nanofiller of varying content (0.25 to 0.75 phr) as a reinforcement for advancing the properties of epoxies was monitored systematically. The effect of the GO-SiO2 hybrid nanofiller on the chain confinement, structure, and mechanics was studied by dynamic mechanical analysis. It was found that the hybrid nanofiller incorporation improved the filler matrix interaction and, thereby, the mechanical properties and glass transition temperature (T g) of epoxy. Epoxy chains near the vicinity of the hybrid filler have become immobilized because of the strong filler-matrix interaction and form a confined zone around the filler-matrix interface. The quantitative measurement of the immobilized epoxy chains formed by the hybrid nanofiller was determined from the tan delta curve. A maximum enhancement in the storage modulus, T g, impact strength, and other theoretical parameters was observed for epoxy nanocomposite with 0.5 phr loading of the hybrid nanofiller.

show abstract

“…Various GDY-based nanomaterials with different dimensions and morphologies (e.g., nanofilms [78], nanowires [79], nanotube [80], nanowalls [81], ordered stripe arrays [82], and 3D framework [83]) have been also reported. To modify the bandgap of GDY as well as its properties, a large number of approaches have been successfully developed so far, including doping of boron/nitrogen [84,85], nanoribbon architectures [86], adsorption of guest molecules [87,88] and chemical reaction (e.g., hydrogenation [89], fluorination [90] and metal decoration [91]). Capitalizing on their excellent properties, GDY and its derivatives have been widely studied on optics, energy storage, separation/ purification, detectors and catalysis [48,92].…”

Section: Graphdiynementioning

confidence: 99%

Recent advance in near-infrared/ultrasound-sensitive 2D-nanomaterials for cancer therapeutics

et al. 2020

View full text Add to dashboard Cite

In recent years, the emerging two-dimensional (2D) nanomaterials have shown great potential for a variety of applications such as electronics, catalysis, supercapacitors, and energy materials. In the biomedical arena, these nanomaterials, especially 2D-ultrathin nanomaterials, have also been regarded as promising nano-carriers and/or diagnostic agents for cancer diagnosis and treatment, owing to their remarkable mechanical, photothermal, and optical properties. In this review, we provide the recent development of the nanoplatforms based on near-infrared/ultrasound-sensitive 2D-materials, representatively such as graphdiyne (GDY), black phosphorus, transition metal dichalcogenides (TMDs), and antimonene, for non-invasive cancer therapeutics including photothermal, photodynamic and sonodynamic approaches. The general properties of these 2D nanomaterials linking to biomedical interests are first introduced, followed by the fabrication processes of diverse nano-platforms and related outcomes of cancer diagnosis and treatments. We also outline the current challenges and prospects of the 2D materials for non-invasive approaches to cancer treatments in the future.

show abstract

Molecular dynamics simulations of the adsorption of polymer chains on graphyne and its family

Cited by 19 publications

References 26 publications

Progress in Research into 2D Graphdiyne-Based Materials

Progress in Research into 2D Graphdiyne-Based Materials

Insights into the Synergistic Effect of Graphene Oxide/Silica Hybrid Nanofiller for Advancing the Properties of Epoxy Resin

Recent advance in near-infrared/ultrasound-sensitive 2D-nanomaterials for cancer therapeutics

Contact Info

Product

Resources

About