This paper presents the research on the analysis of the van der Waals (vdW) interaction on double-walled carbon nanotubes (DWNTs) via an elastic beam model. The parametric studies on the size of DWNTs are conducted to show the effect of vdW interaction on the analysis of both a cantilever...
We report very simple and accurate algebraic expressions for the van der Waals (vdW) potentials and the forces between two parallel and crossed carbon nanotubes. The Lennard-Jones potential for two carbon atoms and the method of the smeared out approximation suggested by L.A. Girifalco were used...
Chemical versus van der Waals Interaction: The role of the heteroatom in the flat absorption of aromatic molecules C6H6, C5NH5, and C4N2H4 on the Cu(110) surface . Phys. Rev. Lett. 102 , 136809 (2009).Atodiresei, N.; Caciuc, V.; Lazić, P.; Blugel, S. Chemical Versus Van ...
The significance of the van der Waals (vdW) interaction in the adhesion mechanism of geckos to surfaces is estimated quantitatively using dispersion-corrected density functional theory (DFT). A complete survey of the pairwise energies for the elements present in gecko epithelia, soda lime glass and...
In the decade since the introduction of van der Waals (vdW) heterostructures for designer devices, there has been an abundance of studies on the artificial assembly of vdW heterostructures for light–matter interactions, charge and energy transport,
79with Becke–Johnson damping is employed to incorporate the interlayer van der Waals interaction and the structure is fully relaxed until the residual forces on each atom decrease to below 0.01 eV/Å. For electronic self-consistent calculations, we apply a convergence criterion of 10−6...
The conventional fabrication of bulk van der Waals (vdW) materials requires a temperature above 1,000 °C to sinter from the corresponding particulates. Here we report the near-room-temperature densification (for example, ∼45 °C for 10 min) of two-dimensional nanosheets to form strong...
van der Waals ( vdW 范德华) 状态方程是A.第一个有实用意义的立方型状态方程B.首次提出分子引力、斥力、分子体积等因素对流体p-V-T性质的影响C.a
Interlayer interactions in 2D materials, also known as van der Waals (vdWs) interactions, play a critical role in the physical properties of layered materials. It is fascinating to manipulate the vdWs interaction, and hence to “redefine” the material properties. Here, we demonstrate that in-pla...
本文用量子化学耦合簇CCSD/aug-cc-pVTz方法,计算了一些分子间范德华作用体系:氢分子二聚体,氢分子与氦、氖。并作了相应的电子密度差及图形。通过对图形分析,认为分子间范德华作用是在分子双方配对电子互斥、制约之下形成的电子共享,是配对电子互斥与电子共享吸引所形成