نتایج جستجو برای: van der waals complexes

تعداد نتایج: 338582  

امیری, پیمان , صالحی, حمداله , معدلی , محمد ,

In this paper, the long-range Van Der Walls dispersion force correction (vdW-DF) for a combined system consisting of an Ag-chain adsorbed on a monolayer of graphene is studied. Calculations are based on density functional theory (DFT) performed by using various LDA, PBE and BLYP approximations. Since Ag chain is weakly adsorbed on graphene sheet, the Van Der Waals contribution to the total adso...

Journal: :The Journal of chemical physics 2004
R Podgornik V A Parsegian

Working at the Lifshitz level, we investigate the van der Waals interactions across a series of layers with a periodic motif. We derive the complete form of the van der Waals interaction as an explicit function of the number of periodic layers. We then compare our result with an approximation based on an anisotropic-continuum representation of the stratified medium. Satisfactory agreement betwe...

2017
Galina Chaban Mark S. Gordon

The potential stability of van der Waals complexes M−H2 (M = Li, Be, B, C, Na, Mg, Al, Si) is assessed using quadratic configuration interaction and large basis sets. It is found that the alkali metals and alkaline earths form very weak complexes in their ground states, but much stronger complexes in their (p) excited states. The elements B, Al, C, and Si form both linear (C∞v) and perpendicula...

Journal: :journal of applied and computational mechanics 0
rahman soroush department of engineering, lahijan branch, islamic azad university, lahijan, iran alireza yekrangi department of engineering, ramsar branch, islamic azad university, ramsar, iran

the presence of van der waals (vdw) force can lead to mechanical instability in freestanding nano-scale actuators. most of the previous researches in this area have exclusively focused on modeling the instability in actuators with one actuating components. while, less attention has been paid to actuators consist of two actuating components. herein, the effect of the vdw force on the instability...

Journal: :The Journal of chemical physics 2006
Daniel M Neumark

Experiments are reviewed in which key problems in chemical dynamics are probed by experiments based on photodetachment and/or photoexcitation of negative ions. Examples include transition state spectroscopy of biomolecular reactions, spectroscopy of open shell van der Waals complexes, photodissociation of free radicals, and time-resolved dynamics in clusters. The experimental methods used in th...

2005
Alexander D. Cronin Lu Wang John Perreault

The problem of designing an atom interferometer with optimum sensitivity to de Broglie wave phase shifts is revisited. Because van der Waals interactions affect how efficiently material gratings work as beam splitters, we find the optimum open fraction for each of the gratings in a three-grating Mach Zehnder atom interferometer depends on the van der Waals interaction strength as well as the at...

2009
Slava V. Rotkin

The physics of operation of nanotube NEMS devices is reviewed. Special attention is paid to non-classical effects, rarely described in MEMS analysis, such as van der Waals/Casimir interactions, quantum effects in electrostatics, atomistic parameterization of elasticity. As an example of a breakdown of a classical MEMS theory, the NEMS scaling limitation is derived in a lump model taking into ac...

Journal: :Physical chemistry chemical physics : PCCP 2012
Weidong He Junhao Lin Bin Wang Shengquan Tuo Sokrates T Pantelides James H Dickerson

A mathematical derivation of an analytical expression is presented to evaluate the van der Waals interaction between a sphere and a cylindrical rod. This expression then is applied to study the growth of one-dimensional nanostructures, such as nanorods, using a common growth mechanism in colloidal chemistry, the oriented attachment growth mechanism. Parameters associated with the dimensions and...

2016
Filippo Pizzocchero Lene Gammelgaard Bjarke S Jessen José M Caridad Lei Wang James Hone Peter Bøggild Timothy J Booth

The assembly of individual two-dimensional materials into van der Waals heterostructures enables the construction of layered three-dimensional materials with desirable electronic and optical properties. A core problem in the fabrication of these structures is the formation of clean interfaces between the individual two-dimensional materials which would affect device performance. We present here...

2017
Marco Gobbi Sara Bonacchi Jian X Lian Yi Liu Xiao-Ye Wang Marc-Antoine Stoeckel Marco A Squillaci Gabriele D'Avino Akimitsu Narita Klaus Müllen Xinliang Feng Yoann Olivier David Beljonne Paolo Samorì Emanuele Orgiu

The rise of 2D materials made it possible to form heterostructures held together by weak interplanar van der Waals interactions. Within such van der Waals heterostructures, the occurrence of 2D periodic potentials significantly modifies the electronic structure of single sheets within the stack, therefore modulating the material properties. However, these periodic potentials are determined by t...

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