MD Simulations on Switching Behavior of Bistable Rotaxanes
نویسندگان
چکیده
منابع مشابه
Designing bistable [2]rotaxanes for molecular electronic devices.
The development of molecular electronic components has been accelerated by the promise of increased circuit densities and reduced power consumption. Bistable rotaxanes have been assembled into nanowire crossbar devices, where they may be switched between low- and high-conductivity states, forming the basis for a molecular memory. These memory devices have been scaled to densities of 10(11) bits...
متن کاملGround-state equilibrium thermodynamics and switching kinetics of bistable [2]rotaxanes switched in solution, polymer gels, and molecular electronic devices.
We report on the kinetics and ground-state thermodynamics associated with electrochemically driven molecular mechanical switching of three bistable [2]rotaxanes in acetonitrile solution, polymer electrolyte gels, and molecular-switch tunnel junctions (MSTJs). For all rotaxanes a pi-electron-deficient cyclobis(paraquat-p-phenylene) (CBPQT4+) ring component encircles one of two recognition sites ...
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Redox-controllable molecular nanovalves based on mesoporous silica nanoparticles have been fabricated, using two bistable [2]rotaxanes with different spacer lengths between their recognition sites as the gatekeepers. Three different linkers with varying chain lengths have been employed to attach the bistable [2]rotaxane molecules covalently to the silica substrate. These nanovalves can be class...
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Extensive urbanization has greatly raised the demand for cleaner coal- and petroleum-derived fuels. Mainly composed of methane, natural gas represents a promising alternative for this purpose, making its storage a significant topic. In the present research, deposition of methane molecules in C60 fullerene was investigated through a combined approach wherein density functional based tight bindin...
متن کاملOptimal bistable switching in nonlinear photonic crystals.
We present an analytical model and numerical experiments to describe optimal bistable switching in a nonlinear photonic crystal system. It is proved that only three parameters are needed to characterize a bistable switch: the resonant frequency omega(res), the quality factor Q, and parameter kappa that measures nonlinear "feedback strength." A photonic crystal enables the device to operate in s...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2018
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.2018-0025