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41.
First principles study of electronic structure and carrier mobility in β-armchair antimony nanotubes
In recent work, we have investigated the structure and stability of β-armchair antimony nanotubes (SbNT) using density functional theory (DFT). We studied electronic properties like electronic band structure, density of states (DOS) and mechanical properties such as stiffness constant, Poisson's ratio, and mechanical strength for these nanotubes. We found that these nanotubes are energetically stable and semiconducting in nature with band-gap varying between 1.32 eV to 1.47 eV. We have also calculated effective mass and carrier mobility for these nanotubes. Furthermore, stiffness constant and mechanical strength of these nanotubes increases with increase in diameter. While, nanotube shows anomalously higher strength than other nanotubes. The results of effective mass and carrier mobility for these nanotubes shows that electrons have higher effective mass and therefore lesser mobility than holes for most of the nanotubes. Our calculations show that β-armchair antimony nanotubes (SbNT) could be use in nano-electronics. 相似文献
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P.S. Vyas P.N. Gajjar B.Y. Thakore A.R. Jani 《理论物理通讯》2008,50(9):763-766
A novel approach of characterizing single parametric model potential is proposed by equating total pair wise force to zero. Our well-established single parametric model potential is characterized using the proposed idea and compared the obtained parameter with parameters computed by previously used approaches. Thus characterized pseudopotential is then tested to compute total energy of alkali metals. The results establish the reliability of proposed idea of making total pair wise force to zero in determining the parameter of the pseudopotential. 相似文献
43.
R. P. Logue J. S. B. Gajjar A. I. Ruban 《Theoretical and Computational Fluid Dynamics》2011,25(1-4):119-128
The triple-deck equations for the steady subsonic flow past a convex corner are solved numerically using a novel technique based on Chebychev collocation in the direction normal to the body combined with finite differences in the direction along the flow. The resulting set of nonlinear algebraic equations are solved with Newton linearization and using the GMRES method for the solution of the linear system of equations. The stability of the computed steady flows is then examined using global stability analysis. It is found that for small corner angles, the Tollmien?CSchlichting modes are globally unstable and these persist to larger corner angles. Multiple steady state solutions also exist beyond a critical corner angle but these are globally unstable because of the presence of the Tollmien?CSchlichting modes. 相似文献
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Vivek P. Chavda Jinal Ajabiya Divya Teli Joanna Bojarska Vasso Apostolopoulos 《Molecules (Basel, Switzerland)》2022,27(13)
The prevalence of obesity and diabetes is an increasing global problem, especially in developed countries, and is referred to as the twin epidemics. As such, advanced treatment approaches are needed. Tirzepatide, known as a ‘twincretin’, is a ‘first-in-class’ and the only dual glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic peptide (GIP) receptor agonist, that can significantly reduce glycemic levels and improve insulin sensitivity, as well as reducing body weight by more than 20% and improving lipid metabolism. This novel anti-diabetic drug is a synthetic peptide analog of the human GIP hormone with a C20 fatty-diacid portion attached which, via acylation technology, can bind to albumin in order to provide a dose of the drug, by means of subcutaneous injection, once a week, which is appropriate to its a half-life of about five days. Tirzepatide, developed by Eli Lilly, was approved, under the brand name Mounjaro, by the United States Food and Drug Administration in May 2022. This started the ‘twincretin’ era of enormously important and appealing dual therapeutic options for diabetes and obesity, as well as advanced management of closely related cardiometabolic settings, which constitute the leading cause of morbidity, disability, and mortality worldwide. Herein, we present the key characteristics of tirzepatide in terms of synthesis, structure, and activity, bearing in mind its advantages and shortcomings. Furthermore, we briefly trace the evolution of this kind of medical agent and discuss the development of clinical studies. 相似文献