The appearance of new and lethal viruses and their potential threat urgently requires innovative antiviral systems.

Carbon nanodots (CNDs) are the latest and most shining rising stars among photoluminescent (PL) nanomaterials. These carbon-based surface-passivated nanostructures compete with other related PL materials, including traditional semiconductor quantum dots and organic dyes, with a long list of benefits and emerging applications. Advantages of CNDs include tunable inherent optical properties and high photostability, rich possibilities for surface functionalization and doping, dispersibility, low toxicity, and viable synthesis (top-down and bottom-up) from organic materials. CNDs can be applied to biomedicine including imaging and sensing, drug-delivery, photodynamic therapy, photocatalysis but also to energy harvesting in solar cells and as LEDs. More applications are reported continuously, making this already a research field of its own. Understanding of the properties of CNDs requires one to go to the levels of electrons, atoms, molecules, and nanostructures at different scales using modern molecular modeling and to correlate it tightly with experiments. This review highlights different in silico techniques and studies, from quantum chemistry to the mesoscale, with particular reference to carbon nanodots, carbonaceous nanoparticles whose structural and photophysical properties are not fully elucidated. The role of experimental investigation is also presented. Hereby, we hope to encourage the reader to investigate CNDs and to apply virtual chemistry to obtain further insights needed to customize these amazing systems for novel prospective applications.

Functionalization of boron nitride (BN) materials with hydroxyls has attracted great attention to accomplish better performances at micro- and nanoscale. BN surface hydroxylation, in fact, induces a change in properties and allows expanding the fields of application. In this review, we have summarized the state-of-the-art in developing hydroxylated bulk and nanoscale BN materials. The different synthesis routes to develop hydroxyl BN have been critically discussed. What emerges is the great variety of possible strategies to achieve BN hydroxylation, which, in turn, represents one of the most suitable methods to improve the solubility of BN nanomaterials. The improved stability of BN solutions creates conditions for producing high-quality nanocomposites. Furthermore, new interesting optical and electronic properties may arise from the functionalization by OH groups as displayed by a wide range of both theoretical and experimental studies. After the presentation of the most significant systems and methodologies, we question of future perspective and important trends of the next generation BN materials as well as the possible areas of advanced research. Graphical Hydroxyl functionalization of boron nitride materials is a key method to control and enhance the properties and design new functional applications.