Advances In Borophene: Synthesis, Tunable Properties, and Energy Storage Applications.

Monolayer boron nanosheet, commonly known as borophene, has garnered significant attention in recent years due to its unique structural, electronic, mechanical, and thermal properties. This review paper provides a comprehensive overview of the advancements in the synthetic strategies, tunable properties, and prospective applications of borophene, specifically focusing on its potential in energy storage devices. The review begins by discussing the various synthesis techniques for borophene, including molecular beam epitaxy (MBE), chemical vapor deposition (CVD), and chemical methods, such as ultrasonic exfoliation and thermal decomposition of boron-containing precursors.

Numerical Investigation and Response Surface Optimization of the Effective Modulus and Electrical and Thermal Conductivities of the Borophene Nanoplatelet-Reinforced PEDOT:PSS Nanocomposite for Energy Storage Application.

Conductive organic nanocomposites have been widely employed to achieve a variety of purposes, particularly for energy storage applications, making it necessary to investigate transport properties such as electron and heat transport qualities based on geometric shapes and component materials. Due to the solid B-B bonds, unique atomic structure, and energy storage potential, borophene has received significant attention due to its reported ultrahigh mechanical modulus and metallic conduction. Herein, we investigated the effect and interaction of content materials (volume fraction) and geometric parameters such as the aspect ratio and orientation of borophene nanoplatelet (BNP) inclusions on the mechanical integrity and transport features (electrical and thermal conductivities) of a poly(3,4-ethylene dioxythiophene):poly(4-styrene sulfonate) (PEDOT:PSS) electrode.

Applications of MXene-Containing Polypyrrole Nanocomposites in Electrochemical Energy Storage and Conversion.

The atomically thick two-dimensional (2D) materials are at the forefront of revolutionary technologies for energy storage devices. Due to their fascinating physical and chemical features, these materials have gotten a lot of attention. They are particularly appealing for a wide range of applications, including electrochemical storage systems, due to their simplicity of property tuning.

Density Functional Theory Interaction Study of a Polyethylene Glycol-Based Nanocomposite with Cephalexin Drug for the Elimination of Wound Infection.

In this paper, density functional theory (DFT) simulations are used to evaluate the possible use of a graphene oxide-based poly(ethylene glycol) (GO/PEG) nanocomposite as a drug delivery substrate for cephalexin (CEX), an antibiotic drug employed to treat wound infection. First, the stable configuration of the PEGylated system was generated with a binding energy of -25.67 kcal/mol at 1.

Application of DFT Calculations in Designing Polymer-Based Drug Delivery Systems: An Overview.

Drug delivery systems transfer medications to target locations throughout the body. These systems are often made up of biodegradable and bioabsorbable polymers acting as delivery components. The introduction of density functional theory (DFT) has tremendously aided the application of computational material science in the design and development of drug delivery materials.