Entropy of Nanostructures

Recent advances in graphene studies deal with the influence of structural defects on graphene chemical, electrical, magnetic and mechanical properties. Here the complex mechanisms leading to the formation of clusters of vacancies in 2D honeycomb HD lattices are described by a pure topological point of view, aiming to correlate the variation of specific topological invariants, sensible to vacancy concentration, to the structural evolution of the defective networks driven by the topo-thermodynamical Gibbs free energy. Interesting predictions on defect formation mechanisms add details on the topological mechanisms featured by the graphenic structures with defects. Future roles of bondonic particles in defective HD materials are also envisaged.

Graphene and Fullenene Clusters

Interacting induced-dipoles polarization in code POLAR permits calculating molecular polarizability, which is tested with endohedral metallofullerenes Scn@Cm and clusters Cn (fullerene, graphene, GR). Polarizability identifies aggregates with dissimilar numbers of atoms and separates isomers. Results are of the same order of magnitude as reference computations performed with code PAPID. Polarizability bulk limit is estimated from Clausius–Mossotti relationship. Polarizability trend for clusters vs. size is unexpected: they are more polarizable than bulk. Theory yielded the same for small Sin, Gen and GanAsm; however, experiment oppositely deferred for larger Sin, GanAsm and GenTem. Smaller clusters do not behave like intermediate sizes: polarizability of small aggregates is caused by dangling bonds at the surface that resembles metallic. Varying number of atoms, clusters show peaks indicative of particularly polarizable structures in agreement with alkalines polarizability and molar volume in the periodic table of the elements. Code AMYR calculates molecular associations on GR(2)–Mz+.

Developing Sustainability

The main types of renewable energies are reviewed in relation with currently available technologies, planet's emergencies and strategies towards sustainable development. The discussed issues are: the limited space for living, the biospheric degradation upon fossil fuels burning, the change of paradigm of human happiness from consumption to cultural development, a continuous improving of conversion of the low density and intermittent sun light on final energy on an industrial scale, the need to reintroduce the concepts of “enough” and “equity” while developing the know-how patrimony and good practices for the next generations.

Sustainable Nanosystem Development for Mass Spectrometry

Nowadays, considerable efforts are invested into development of sustainable nanosystems as front end technology for either Electrospray Ionization (ESI) or Matrix-Assisted Laser Desorption/Ionization (MALDI) mass spectrometry (MS). Since their first introduction in MS, nanofluidics demonstrated a high potential to discover novel biopolymer species. These systems confirmed the unique ability to offer structural elucidation of molecular species, which often represent valuable biomarkers of severe diseases. In view of these major advantages of nanofluidics-MS, this chapter reviews the strategies, which allowed a successful development of nanotechnology for MS and the applications in biological and clinical research. The first part will be dedicated to the principles and technical developments of advanced nanosystems for electrospray and MALDI MS. The second part will highlight the most important applications in clinical proteomics and glycomics. Finally, this chapter will emphasize that advanced nanosystems-MS has real perspectives to become a routine method for early diagnosis of severe pathologies.

A Theoretical Study of the Refractive Index of KDP Crystal Doped with TiO2 Nanoparticles

In the present chapter we study a nonlinear response of an optical matrix formed by the K2HPO4 crystal doped with TiO2 nanoparticles. Such doped matrix is a nonlinear optical system that is characterized by the cubic non-linear optical response at picosecond laser pulses. Laser pulses release photoelectrons from nanoparticles, which emerge as free carriers on the nanoparticles' surface generating an electric field in local area of the K2HPO4 matrix, which results in the phase transition from the paraphase to the ferroelectric phase state. The appeared ferroelectric phase induces a large polarization around TiO2 nanoparticles, which in turn immediately produces a nonlinear optical response to the laser pulse of the inverse sign, such that the laser beam becomes more focused. The gigantic non-linear susceptibility ??(3) responsible for the phenomenon of focusing of the laser beam is calculated by using the pseudospin model for the description of ferroelectric crystals and the expressions for nonlinear-susceptibility tensor components computed by other researchers.

Bondonic Electrochemistry

The main concepts of electrochemistry are reviewed in a fundamental manner as well for the applicative approach of asymmetric currents in the galvanic cells; the whole electrochemical process is eventually combined with embedded the bondonic chemistry modeling the electronic charge transfer sensitizing the anode electrode and the overall photovoltaic effect through the electrolyte fulfilling the red-ox closed circuit; the resulted bondonic electrochemistry may be suited for integration with the fresh approach of sensitization of the solar cells by the bonding quantum dots (the bondots), see the preceding chapter of the same book, towards a bondonic-bondotic photo-electrochemical integrated and cost-effective photo-current conversion; it may be used as well as for laser-based technique in controlling the electrochemical effects with optical lattices acting towards condensing the electrons into bondons and controlling them thereof.

Quantum Dots Searching for Bondots

The relatively new technique of quantum-dots sensitizing the solar cells for optimum cost-efficiency of photovoltaics is reviewed while launching new concept of bonding-quantum dots – the so called bondots (abbreviated as D), founded on the Dirac quantum theory of coupling spinors, while the associated analytics and basic illustration on paradigmatic chemical bonds are revealed, so paving the way for experimentally searching of at least doubling the photo-electric conversion in sustainable bondotic sensitized solar cells.

Main Allotropes of Carbon

Carbon allotropes can be classified according to the carbon atom hybridization. In principle, there are different ways, based on various parameters, such as range dimensionality, type of chemical bonds, etc. which can be used to classify carbon nanostructures. Classifications vary function of the field of nanostructure applications. In a point of view, one can classify the carbon allotropes by the type of carbon atom hybridation. This chapter is a brief review introduction to some major allotropes: graphene/graphite, carbon nanotubes, diamond and amorphous carbon. In addition, Chemical Vapor Deposition (CVD) techniques, frequently used for synthesizing these structures are discussed. The influence of some important experimental parameters on the growth of high quality diamond and diamond-like carbon DLC are also investigated.

Atlas of ρ, ρE, and TM–EC for Fullerenes Isomers

A fullerene graph is a cubic, planar and 3-connected graph that its faces are pentagons and hexagons. These graphs are the best mathematical models for fullerene molecules, which are polyhedral carbon molecules with atoms arranged in pentagons and hexagons. The topological efficiency index ?, the parameter ?E and the Timisoara-eccentricity index (TM-EC)are three recent parameters for studying fullerenes. The aim of this chapter is to report these parameters for fullerenes. The examples given includes at most 50 carbon atoms.

Sustainable Design of Photovoltaics

With the ever present-to-future need of renewable energy the main features of photo-electrochemistry processes are reviewed and described from the perspective of devices phenomenology serving to sustainable design of photovoltaics, while providing the quantum insight in terms of data observability and interpretation. At the same time, the photovoltaic cell “enriched” with quantum dots is presented as a “milestone for obtaining green energy”, a perspective opened by the developing of recent nanotechnology. Nevertheless, this new approach is referring to both theoretical and experimental aspects, both equally needed in order to find a way to develop efficient and ecological photovoltaic devices. Finally, bondonic information for molecules activated in mesoscopic scale are determined while combining their FT-IR spectra with photovoltaic fill factor and metrological quantum triangle (electron tunneling, Josephson effect and quantum Hall effect) towards challenging new perspective of sub-quantum interaction in condensed nano-matter.