Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbon anodes in lithium-ion batteries.

Enhancement of the ionic conductivity and reduction of diffusion barriers of lithium-ion batteries are crucial for improving the performance of the fast-growing energy storage devices. Recently, the fast-charging capability of commercial-like lithium-ion anodes with the smallest modification of the current manufacturing technology has been of great interest. We used first principles methods computations with density functional theory and the climbing image-nudged elastic band method to evaluate the impact of an external electric field on the stability, electronic band gap, ionic conductivity, and lithium-ion diffusion coefficient of penta-graphene nanoribbons upon lithium adsorption.

Optoelectronic Properties of Nitrogen-Doped Hexagonal Graphene Quantum Dots: A First-Principles Study.

Graphene quantum dots have been widely studied owing to their unique optical, electrical, and optoelectrical properties for various applications in solar devices. Here, we investigate the optoelectronic properties of hexagonal and nitrogen-doped graphene quantum dots using the first-principles method. We find that doping nitrogen atoms to hexagonal graphene quantum dots results in a significant red shift toward the visible light range as compared to that of the pristine graphene quantum dots, and the doped nitrogen atoms also induce a clear signature of anisotropy of the frontier orbitals induced by the electron correlation between the doped nitrogen atoms and their adjacent carbon atoms.

Graphene as a Sensor for Lung Cancer: Insights into Adsorption of VOCs Using vdW DFT.

The adsorption mechanism of individual volatile organic compounds (VOCs) on the surface of graphene is investigated using nonempirical van der Waals (vdW) density functional theory. The VOCs chosen as adsorbates are ethanol, benzene, and toluene, which are found in the exhaled breath of lung cancer patients. The most energetically favorable configurations of the adsorbed systems, adsorption energy profiles, charge transfer, and work function are calculated.

Potential application of chitosan stabilized silver nanoparticles for simultaneous control of dengue virus and mosquito vectors.

Dengue fever pandemic caused by dengue virus has been claimed for many lives, however, no specific treatment is available. Prevention based on vector control posed to be the most effective measure so far. The application of chitosan stabilized silver nanoparticle (AgNPs) to control larvae and adult mosquitoes has recently discovered, but their ability to inhibit Dengue virus has scarcely discussed.

Characteristics and Pathogenicity of the Cell-Adapted Attenuated Porcine Epidemic Diarrhea Virus of the Non-S INDEL Cluster.

The high antigenic diversity of porcine epidemic diarrhea virus (PEDV) means that porcine epidemic diarrhea (PED) is a challenge for the global pig industry. Understanding the circulation of the virus to determine an optimal vaccine strategy is important in controlling the disease. In this study, we describe the genetic diversity of circulating PEDV based on the full sequences of spike genes of eight positive samples collected in Vietnam since 2018.