Recent experiments aiming to produce TiO2 nanostructures have been riddled with complications. It has been found that an undesired reaction occurs with the water used in the flaking process producing a sulphurous smell. This product suggests the production of TiOxS2−x in the layered crystal structure. This nanostructure has great potential benefits for the construction of semiconductor devices ...

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by s...

The attractive interactions between Boron, B, and Nitrogen, N, codoped atoms in graphene nanosheets are calculated based on Density Functional Theory, DFT, using Quantum Espresso software, QE. We realized that the electron density distribution is strongly localized along B-N bonds when there a strong force dopant’s atoms; however, lesser force, electrons delocalized over bond of hexagonal ring....

In this study, the optical refractive constants of (5, 5) SWBNNT and SWCNT systems were calculated in both parallel perpendicular directions tube axis by using Quantum ESPRESSO YAMBO code. It also extended behaviors to instead reported literature. looked at effects diameter nanotube on properties chiral angles. From our results, best reflection was found for SWBNNT, while refraction with SWCNT....

Riassunto. Si studia il comportamento asintotico di una classe di funzionali integrali che possono dipendere da misure concentrate su strutture periodiche multidimensionali, quando tale periodo tende a 0. Il problema viene ambientato in spazi di Sobolev rispetto a misure periodiche. Si dimostra, sotto ipotesi generali, che un appropriato limite può venire definito su uno spazio di Sobolev usual...

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Polygodial, a valuable sesquiterpene dialdehyde featuring an epimerizable stereocenter was efficiently extracted and isolated in gram-scale quantities (3.3% w/w) from Tasmannia lanceolata (Tasmanian native pepper) via a recently developed rapid pressurised hot water extraction (PHWE) technique that utilises an unmodified household espresso machine. This method was compared to the maceration of ...

A reversible circuit maps each output vector into a unique input vector, and vice versa. CMOS reversible / adiabatic circuits are currently the most important approaches to power optimization. This paper introduces an approach to synthesize generalized multi-rail reversible cascades for singleoutput Boolean functions. Minimizing the “garbage bits” is the main challenge of reversible logic synth...