Effects of charging and electric field on the properties of silicene and germanene

Using first-principles Density Functional Theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or exerted by a perpendicular electric field are modified to attain new functionalities. In particular, when exerted by a perpendicular electric field, the symmetry between the planes of buckled atoms is broken to open a gap at the Dirac points. The occupation of 3d-orbitals of adsorbed Ti atom changes with charging or applied electric field to induce significant changes of magnetic moment. We predict that neutral silicene uniformly covered by Ti atoms becomes a half-metal at a specific value of coverage and hence allows the transport of electrons in one spin direction, but blocks the opposite direction. These calculated properties, however exhibit a dependence on the size of the vacuum spacing between periodically repeating silicene and germanene layers, if they are treated using plane wave basis set within periodic boundary condition. We clarified the cause of this spurious dependence and show that it can be eliminated by the use of local orbital basis set.Comment: Accepted for Journal of Physics: Condensed Matte

Self healing of vacancy defects in single layer graphene and silicene

Self healing mechanisms of vacancy defects in graphene and silicene are studied using first principles calculations. We investigated host adatom adsorption, diffusion, vacancy formation and revealed atomistic mechanisms in the healing of single, double and triple vacancies of single layer graphene and silicene. Silicon adatom, which is adsorbed to silicene at the top site forms a dumbbell like structure by pushing one Si atom underneath. The asymmetric reconstruction of the single vacancy in graphene is induced by the magnetization through the rebonding of two dangling bonds and acquiring a significant magnetic moment through remaining unsaturated dangling bond. In silicene, three two-fold coordinated atoms surrounding the single vacancy become four-fold coordinated and nonmagnetic through rebonding. The energy gained through new bond formation becomes the driving force for the reconstruction. Under the external supply of host atoms, while the vacancy defects of graphene heal perfectly, Stone-Wales defect can form in the course of healing of silicene vacancy. The electronic and magnetic properties of suspended, single layer graphene and silicene are modified by reconstructed vacancy defects.Comment: Published in PRB: http://prb.aps.org/abstract/PRB/v88/i4/e04544

What is the real effect of pregabalin in patients with diabetic neuropathic pain? (do patients suffer from less pain or do they less care about it?)

Objectives - Depression and anxiety are frequent in patients with chronic diseases such as diabetic neuropathic pain.The pain seems to be more severe in patients in whom depressive findings accompanied pain symptoms. Pregabalin was reported to have positive effects on anxiety and depression. This brings out the question, whether the pain relief effect of pregabalin is due to its analgesic effect or to its effects on mood? The aim of this study is to find out whether the positive effect of pregabalin in patients with diabetic neuropathic pain is limited to its effect on pain. Thus the question - do patients suffer from less pain or do they less care about pain? -should be answered. Methods - With this aim the NRS scores of 46 patients with diabetic neuropathic pain, whose HADS scores did not change with pregabalin treatment were compared with their baseline levels, retrospectively. Results - The NRS scores of the group were reduced with pregabalin treatment. Conclusion - This results suggests that the reduced pain in pregabalin treatment should be independent from its effects on depression and anxiety. © 2018 Ifjusagi Lap-es Konyvkiado Vallalat. All rights reserved

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor

Sensitivity to NH₃ Vapor: Synthesis and Characterization of Five New Coordination Polymers Based on 2,2-Dimethylglutaric Acid and Bis(triazole)-Derived Ligands

Five new coordination polymers (CPs) were obtained as a result of hydrothermal reactions of 2,2-dimethylglutaric acid (H2dmg) and 1,4-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (pbtx)/1,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzene (obtx) ligands with some metal ions [Co(μ-dmg)(μ-obtx)]n (1), [Zn(μ-dmg)(μ-obtx)]n (2), [Cd(μ-dmg)(μ-obtx)]n (3), [Co2(μ-dmg)2(μ-pbtx)2]n (4), and [Cd(μ-dmg)(H2O)(μ-pbtx)]n (5). All of the compounds were characterized by elemental analysis, FT-IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analysis techniques. The single-crystal X-ray studies show that all compounds exhibit 2D layer structures. To examine the ammonia sensing properties of five new coordination complexes (1–5), the absorption and emission spectra of CPs embedded in ethyl cellulose thin films were measured by exposure to different concentrations of ammonia (NH3) vapor. The [Co2(μ-dmg)2(μ-pbtx)2]n (4)-based sensor agent was found to show promising sensor properties in detecting NH3 vapor