[en] Short note

[en] To extend materials design and discovery into the space of metastable polymorphs, rapid and reliable assessment of transformation kinetics to lower energy structures is essential. Herein we focus on diffusionless polymorphic transformations and investigate routes to assess their kinetics using solely crystallographic arguments. As part of this investigation we developed a general algorithm to map crystal structures onto each other, and ascertain the low-energy (fast-kinetics) transformation pathways between them. Pathways with minimal dissociation of chemical bonds, along which the number of bonds (in ionic systems the first-shell coordination) does not decrease below that in the end structures, are shown to always be the fast-kinetics pathways. These findings enable the rapid assessment of the kinetics of polymorphic transformation and the identification of long-lived metastable structures. In conclusion, the utility is demonstrated on a number of transformations including those between high-pressure SnO₂ phases, which lack a detailed atomic-level understanding.

No abstract available

[en] The frequencies of the long-wavelength lattice vibrations of SnS crystal with a layered crystal structure have been calculated in the linear chain framework. It has been shown that these frequencies fall as the size of the crystal across layers decreases. A significant softening of the low-frequency Raman-active modes has been established as the thickness of a crystal is reduced to two layers. (author)

[en] This work reports on direct evidence of localized states in undoped SnO₂ nanobelts. Effects of disorder and electron localization were observed in Schottky barrier dependence on the temperature and in thermally stimulated currents. A transition from thermal activation to hopping transport mechanisms was also observed. The energy levels found by thermally stimulated current experiments were in close agreement with transport data confirming the role of localization in determining the properties of devices. (paper)

[en] Nanostructured materials are promising candidates for chemical sensors due to their fascinating physicochemical properties. Among various candidates, tin oxide (SnO₂) has been widely explored in gas sensing elements due to its excellent chemical stability, low cost, ease of fabrication and remarkable reproducibility. We are presenting an overview on recent investigations on 1-dimensional (1D) SnO₂ nanostructures for chemical sensing. In particular, we focus on the performance of devices based on surface engineered SnO₂ nanostructures, and on aspects of morphology, size, and functionality. The synthesis and sensing mechanism of highly selective, sensitive and stable 1D nanostructures for use in chemical sensing are discussed first. This is followed by a discussion of the relationship between the surface properties of the SnO₂ layer and the sensor performance from a thermodynamic point of view. Then, the opportunities and recent progress of chemical sensors fabricated from 1D SnO₂ heterogeneous nanostructures are discussed. Finally, we summarize current challenges in terms of improving the performance of chemical (gas) sensors using such nanostructures and suggest potential applications. (author)

[en] The description of SnO₂ nanowires growth procedures are getting more and more frequent in the current literature. However, studies on the growth mechanisms are still lacking. In particular, no investigation has been reported on the growth process when the growth mechanisms are not based, as in the case of whiskers, on vapour-liquid-solid (VLS) transitions. In this paper, a new procedure is reported by the authors for growing SnO₂ nanowires, based on the presence of liquid-tin droplets on the substrate. The Sn vapour pressure developed by these droplets, which find themselves very close to the growing tip of the wire, gives rise to a sufficiently high supersaturation to enable the fast growth rate usually observed. The principal features and results of this new procedure, as well as possible growth mechanisms, are also discussed

[en] Graphene oxide (GO) has been of particular interest because it provides unique properties due to its high surface area, chemical functionality and ease of mass production. GO is produced by chemical exfoliation of graphite and is decorated with oxygen-containing groups such as phenol hydroxyl, epoxide groups and ionizable carboxylic acid groups. Due to the presence of those functional groups, GO can be utilized as a novel platform for hybrid nanocomposites in chemical synthetic approaches. In this work, GO-SnO₂ nanocomposites have been prepared through the spontaneous formation of molecular hybrids. When SnO₂ precursor solution and GO suspension were simply mixed, Sn²⁺ was spontaneously formed into SnO₂ nanoparticles upon the deoxygenation of GO. Through further chemical reduction by adding hydrazine, reduced GO-SnO₂ hybrid was finally created. Our investigation for the electrocapacitive properties of hybrid electrode showed the enhanced performance (389 F/g), compared with rGO-only electrode (241 F/g). Our approach offers a scalable, robust synthetic route to prepare graphene-based nanocomposites for supercapacitor electrode via spontaneous hybridization

[en] Using a tight-binding, total-energy model, we examine atomic relaxations of the ideal stoichiometric and reduced tin oxide (11) surfaces. In both cases we find a nearly bond-length conserving rumple of the top layer, and a smaller counter-relaxation of the second layer. These calculations show no evidence of surface states in the band gap for either surface

[en] Different tin sulfide nanostructures, such as nanobelts, nanorightangles, nanorods, and nanosheets, have been synthesized via an efficient solvothermal process. The thickness and width of SnS nanobelts are less than 30 nm and in the range of 50-300 nm, respectively. A nanorightangle is composed of two nanobelts. The influence of synthetic parameters, such as reaction temperature and sulfur sources, on the morphologies of tin sulfide has been investigated