Infrared and Raman spectra of LiV2O5 single crystals

The phonon dynamics of LiV2O5 single crystals is studied using infrared and Raman spectroscopy techniques. The infrared-active phonon frequencies and dielectric constants are obtained by oscillator fitting procedure of the reflectivity data measured at room temperature. The Raman scattering spectra are measured at room temperature and at T=10 K in all nonequivalent polarized configurations. The assignment of the phonons is done by comparing the infrared and Raman spectra of LiV2O5 and NaV2O5. The factor-group-analysis of the LiV2O5 crystal symmetry and of its constituent layers is performed to explain the symmetry properties of the observed modes. We concluded that layer symmetry dominates in the vibrational properties of this compound.Comment: 10 pages, 5 figure

Isotropic Conductivity of Two-Dimensional Three-Component Symmetric Composites

The effective dc-conductivity problem of isotropic, two-dimensional (2D), three-component, symmetric, regular composites is considered. A simple cubic equation with one free parameter for $\sigma_{e}(\sigma_1,\sigma_2,\sigma_3)$ is suggested whose solutions automatically have all the exactly known properties of that function. Numerical calculations on four different symmetric, isotropic, 2D, three-component, regular structures show a non-universal behavior of $\sigma_{e}(\sigma_1,\sigma_2,\sigma_3)$ with an essential dependence on micro-structural details, in contrast with the analogous two-component problem. The applicability of the cubic equation to these structures is discussed. An extension of that equation to the description of other types of 2D three-component structures is suggested, including the case of random structures. Pacs: 72.15.Eb, 72.80.Tm, 61.50.AhComment: 8 pages (two columns), 8 figures. J. Phys. A - submitte

How Communication Failed or Saved the Day : Counterfactual Accounts of Medical Errors

Communication breakdowns among clinicians, patients, and family members can lead to medical errors, yet effective communication may prevent such mistakes. This investigation examined patients\u27 and family members\u27 experiences where they believed communication failures contributed to medical errors or where effective communication prevented a medical error ( close calls ). The study conducted a thematic analysis of open-ended responses to an online survey of patients\u27 and family members\u27 past experiences with medical errors or close calls. Of the 93 respondents, 56 (60%) provided stories of medical errors, and the remaining described close calls. Two predominant themes emerged in medical error stories that were attributed to health care providers-information inadequacy (eg, delayed, inaccurate) and not listening to or being dismissive of a patient\u27s or family member\u27s concerns. In stories of close calls, a patient\u27s or family member\u27s proactive communication (eg, being assertive, persistent) most often saved the day. The findings highlight the importance of encouraging active patient/family involvement in a patient\u27s medical care to prevent errors and of improving systems to provide meaningful information in a timely manner

Anomalous Lattice Vibrations of Single and Few-Layer MoS2

Molybdenum disulfide (MoS2) of single and few-layer thickness was exfoliated on SiO2/Si substrate and characterized by Raman spectroscopy. The number of S-Mo-S layers of the samples was independently determined by contact-mode atomic-force microscopy. Two Raman modes, E12g and A1g, exhibited sensitive thickness dependence, with the frequency of the former decreasing and that of the latter increasing with thickness. The results provide a convenient and reliable means for determining layer thickness with atomic-level precision. The opposite direction of the frequency shifts, which cannot be explained solely by van der Waals interlayer coupling, is attributed to Coulombic interactions and possible stacking-induced changes of the intralayer bonding. This work exemplifies the evolution of structural parameters in layered materials in changing from the 3-dimensional to the 2-dimensional regime.Comment: 14 pages, 4 figure

Mechanical and Electronic Properties of MoS2_2 Nanoribbons and Their Defects

We present our study on atomic, electronic, magnetic and phonon properties of one dimensional honeycomb structure of molybdenum disulfide (MoS$_2$) using first-principles plane wave method. Calculated phonon frequencies of bare armchair nanoribbon reveal the fourth acoustic branch and indicate the stability. Force constant and in-plane stiffness calculated in the harmonic elastic deformation range signify that the MoS$_2$ nanoribbons are stiff quasi one dimensional structures, but not as strong as graphene and BN nanoribbons. Bare MoS$_2$ armchair nanoribbons are nonmagnetic, direct band gap semiconductors. Bare zigzag MoS$_2$ nanoribbons become half-metallic as a result of the (2x1) reconstruction of edge atoms and are semiconductor for minority spins, but metallic for the majority spins. Their magnetic moments and spin-polarizations at the Fermi level are reduced as a result of the passivation of edge atoms by hydrogen. The functionalization of MoS$_2$ nanoribbons by adatom adsorption and vacancy defect creation are also studied. The nonmagnetic armchair nanoribbons attain net magnetic moment depending on where the foreign atoms are adsorbed and what kind of vacancy defect is created. The magnetization of zigzag nanoribbons due to the edge states is suppressed in the presence of vacancy defects.Comment: 11 pages, 5 figures, first submitted at November 23th, 200

Effective mechanical properties of multilayer nano-heterostructures

Two-dimensional and quasi-two-dimensional materials are important nanostructures because of their exciting electronic, optical, thermal, chemical and mechanical properties. However, a single-layer nanomaterial may not possess a particular property adequately, or multiple desired properties simultaneously. Recently a new trend has emerged to develop nano-heterostructures by assembling multiple monolayers of different nanostructures to achieve various tunable desired properties simultaneously. For example, transition metal dichalcogenides such as MoS2 show promising electronic and piezoelectric properties, but their low mechanical strength is a constraint for practical applications. This barrier can be mitigated by considering graphene-MoS2 heterostructure, as graphene possesses strong mechanical properties. We have developed efficient closed-form expressions for the equivalent elastic properties of such multi-layer hexagonal nano-hetrostructures. Based on these physics-based analytical formulae, mechanical properties are investigated for different heterostructures such as graphene-MoS2, graphene-hBN, graphene-stanene and stanene-MoS2. The proposed formulae will enable efficient characterization of mechanical properties in developing a wide range of application-specific nano-heterostructures

Electron transfer kinetics on natural crystals of MoS2 and graphite

Here, we evaluate the electrochemical performance of sparsely studied natural crystals of molybdenite and graphite, which have increasingly been used for fabrication of next generation monolayer molybdenum disulphide and graphene energy storage devices. Heterogeneous electron transfer kinetics of several redox mediators, including Fe(CN)63−/4−, Ru(NH3)63+/2+ and IrCl62−/3− are determined using voltammetry in a micro-droplet cell. The kinetics on both materials are studied as a function of surface defectiveness, surface ageing, applied potential and illumination. We find that the basal planes of both natural MoS2 and graphite show significant electroactivity, but a large decrease in electron transfer kinetics is observed on atmosphere-aged surfaces in comparison to in situ freshly cleaved surfaces of both materials. This is attributed to surface oxidation and adsorption of airborne contaminants at the surface exposed to an ambient environment. In contrast to semimetallic graphite, the electrode kinetics on semiconducting MoS2 are strongly dependent on the surface illumination and applied potential. Furthermore, while visibly present defects/cracks do not significantly affect the response of graphite, the kinetics on MoS2 systematically accelerate with small increase in disorder. These findings have direct implications for use of MoS2 and graphene/graphite as electrode materials in electrochemistry-related applications