نتایج جستجو برای: molecular electrostatic surface potential
تعداد نتایج: 2170623 فیلتر نتایج به سال:
The aims of this project are to investigate the effects of Isoniazid drug adsorption on the geometrical and electrical structure of pristine and Ni-doped Gallium nitride nanotube (GaNNTs). For this purpose, 24 different configuration models are considered for adsorbing Isoniazid on the surface of nanotube and then all considered structures are optimized by using density function theory (DFT) ...
The paper deals with the mechanical behavior of a micro-beam bonded with two piezoelectric layers. The micro-beam is suspended over a fixed substrate and undergoes the both piezoelectric and electrostatic actuation. The piezoelectric layers are poled through the thickness and equipped with surface electrodes. The equation governing the micro-beam deflection under electrostatic pressure is deriv...
Objective(s): Carbon nanotube (CNT) has been widely applied at molecular and cellular levels due to its exceptional properties. Studies based on conjugation of CNTs with biological molecules indicated that biological activity is preserved. Polyethylenimine (PEI) is explored in designing novel gene delivery vectors due to its ability to condense plasmid DNA through electrostatic attraction. In t...
the importance of constructing the appropriate green function to solve a wide range of problems inelectromagnetics and partial differential equations is well-recognized by those dealing with classical electrodynamics and related fields. although the subject of obtaining the green function for certain geometries has been extensively studied and addressed in numerous sources, in this paper a syst...
Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 - 31 (+ +) G * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. Several statis...
There is considerable current interest in using molecular materials to influence the surface potential of semiconductor devices for nanoelectronic and sensing applications. We present experimental capacitance-voltage results showing that systematic Schottky barrier height modulation can be achieved using dipolar molecular layers in gold-molecule-silicon devices. A computational methodology that...
In recent years, dielectrophoresis based microfluidics systems have been used to manipulate colloids, inert particles, and biological microparticles, such as red blood cells, white blood cells, platelets, cancer cells, bacteria, yeast, microorganisms, proteins, DNA, etc. In the current study the governing electric potential equations have been solved in the presence of cell for the purpose of ...
The hydrate/methane gas interface is studied by molecular dynamics simulations. Below the hydrate melting temperature a thin liquid film forms with an associated surface charge density and electrostatic potential. The thickness of the thin liquid film, the charge density, and electrostatic potential at the hydrate/gas interface are established at different subcooling temperatures for the first ...
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