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DFT is a valuable tool for calculating adsorption energies toward designing materials for hydrogen storage. However, dispersion forces being absent from the theory, it remains unclear how the consideration of van der Waals (vdW)…

Chemical Physics · Physics 2021-09-16 Genki I. Prayogo , Hyeondeok Shin , Anouar Benali , Ryo Maezono , Kenta Hongo

A single-walled carbon nanotube presents a seamless cylindrical graphene surface and is thus an ideal adsorption substrate for investigating the physics of atoms and molecules in two dimensions and approaching the one-dimensional limit.…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Boris Dzyubenko , Hao-Chun Lee , Oscar E. Vilches , David H. Cobden

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…

Soft Condensed Matter · Physics 2009-11-10 R. Podgornik , V. A. Parsegian

Optical dispersion spectra at energies up to 30 eV play a vital role in understanding the chirality-dependent van der Waals London dispersion interactions of single wall carbon nanotubes (SWCNTs). We use one-electron theory based…

Mesoscale and Nanoscale Physics · Physics 2012-11-02 Rick F. Rajter , Roger H. French , W. Y. Ching , Rudolf Podgornik , V. Adrian Parsegian

The bridge between quantum vacuum photon modes and properties of patterned surfaces is currently being established on solid theoretical grounds. Based on these foundations, the manipulation of quantum vacuum photon modes in a nanostructured…

Mesoscale and Nanoscale Physics · Physics 2015-12-16 Louis Dellieu , Olivier Deparis , Jerome Muller , Branko Kolaric , Michael Sarrazin

Recent fluorescence spectroscopy experiments on single wall carbon nanotubes reveal substantial deviations of observed absorption and emission energies from predictions of noninteracting models of the electronic structure. Nonetheless, the…

Materials Science · Physics 2009-11-10 C. L. Kane , E. J. Mele

We consider the effect of atomic hydrogen exposure to a system of two undoped sheets of graphene grown near a silica surface (the first adsorbed to the surface and the second freestanding near the surface). In the absence of atomic hydrogen…

Materials Science · Physics 2012-01-26 Mathias Boström , Bo E. Sernelius

We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase diagrams, respectively. We employ density functional theory…

Materials Science · Physics 2019-05-10 Sam Azadi , Graeme J. Ackland

The van der Waals interaction between a lipid membrane and a substrate covered by a graphene sheet is investigated using the Lifshitz theory. The reflection coefficients are obtained for a layered planar system submerged in water. The…

Mesoscale and Nanoscale Physics · Physics 2013-11-22 Anh D. Phan , Trinh X. Hoang , The-Long Phan , Lilia M. Woods

In the 1960s, Lifshitz et al. predicted that quantum fluctuations can change the van der Waals (vdW) interactions from attraction to repulsion. However, the vdW repulsion, or its long-range counterpart - the Casimir repulsion, has only been…

The low-energy theory for single-wall carbon nanotubes including Coulomb interactions is derived and analyzed. It describes two fermion chains without interchain hopping but coupled in a specific way by the interaction. The strong-coupling…

Condensed Matter · Physics 2009-10-30 Reinhold Egger , Alexander O. Gogolin

We evaluate separation dependent van der Waal dispersion ($C_3$) coefficients for the interactions of the Li, Na, K and Rb alkali atoms with a graphene layer and with a single walled carbon nanotube (CNT) using the hydrodynamic and Dirac…

Atomic Physics · Physics 2015-06-18 Bindiya Arora , Harjeet Kaur , B. K. Sahoo

The van der Waals interaction between two polarizable atoms is considered. In three dimensions the standard form with an attractive $1/|R|^6$ potential is obtained from second-order quantum perturbation theory. When the electron motion is…

Quantum Physics · Physics 2015-01-22 A. C. Ipsen , K. Splittorff

We consider a multiatomic system where the nuclei are assumed to be point charges at fixed positions. Particles interact via Coulomb potential and electrons have pseudo-relativistic kinetic energy. We prove the van der Waals-London law,…

Mathematical Physics · Physics 2022-11-16 Jean-Marie Barbaroux , Michael Hartig , Dirk Hundertmark , Semjon Vugalter

We present a formula for the body-assisted van der Waals interaction potential between two atoms, one or both being prepared in an excited energy eigenstate. The presence of arbitrary arrangement for material environment is taken into…

Quantum Physics · Physics 2015-01-12 Hassan Safari , Mohammad Reza Karimpour

Using bosonization we derive the dc conductance G(L,T) of an interacting quantum wire with good contacts including current relaxing backscattering and Umklapp processes. Our result yields the dependence of the conductance on length L and…

Strongly Correlated Electrons · Physics 2013-02-01 N. Sedlmayr , P. Adam , J. Sirker

Understanding static and dynamic phenomena in complex materials at different length scales requires reliably accounting for van der Waals (vdW) interactions, which stem from long-range electronic correlations. While the important role of…

Materials Science · Physics 2022-03-23 Paul Hauseux , Alberto Ambrosetti , Stéphane P. A. Bordas , Alexandre Tkatchenko

Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of…

Mesoscale and Nanoscale Physics · Physics 2021-01-01 Han Meng , Shigeo Maruyama , Rong Xiang , Nuo Yang

We study the binding energy, intertube distance and electronic structure of bundles consisting of single walled carbon nanotubes of the same chirality. We model various nanotube structures (chiralities) and orientations with van der Waals…

Materials Science · Physics 2012-07-20 Heiko Dumlich , Stephanie Reich

This chapter deals with atom-wall interaction occurring in the "long-range" regime (typical distances: 1-1000 nm), when the electromagnetic fluctuations of an isolated atom are modified by the vicinity with a surface. Various regimes of…

Atomic Physics · Physics 2007-05-23 Daniel Bloch , Martial Ducloy
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