van der Waals interaction
van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu(111)
... The Cu(111) surface was represented by a slab with a thickness of six atomic layers, of which only the top two were allowed to relax in the geometry optimizations. In the direction perpendicular to the surface, a vacuum ...
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Inclusion of Van der Waals Interactions in DFT using Wannier Functions without empirical parameters
... Density Functional Theory (DFT) is a well-established computational approach to study the structural and elec- tronic properties of condensed matter systems from first principles. Although current, approximated density ...
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Magnon assisted tunnelling in van der Waals heterostructures based on CrBr3
... exchange interaction and the renormalisation parameter γ is determined from self-consistent equations and defines the magnon hopping between adjacent sites, see Supplementary Information and reference 29 ...
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Imaging of interlayer coupling in van der Waals heterostructures using a bright-field optical microscope
... its eectiveness is independent of the type of the substrate used. The exception will be substrates where PL of the TMD monolayers is strongly quenched (for example, when they are placed on gold) or the TMD akes become ...
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Electromagnetic Eigenmodes in Matter. Van Der Waals-London and Casimir Forces
... derive van der Waals-London and Casimir ...(non-retarded) interaction (valid for wavelengths much longer than the characteristic size of the bodies) and, second, for retarded ...
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A Generalized van der Waals Model for Light Gas Adsorption Prediction in IRMOFs
... Compared to the real conformations and properties of IRMOFs, the simplified structures and attractive regions provide us with a simple but clear understanding of the materials at the expense of ignoring the details and ...
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Nearly room temperature ferromagnetism in a magnetic metal-rich van der Waals metal
... pounds, we performed crystal structure searching using AIRSS strategy (AIRSS, version 0.91) (31), combined with a plane wave–based DFT software. A plane wave basis set cutoff energy of 300 eV and k-points sampling of ...
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New models for intermolecular repulsion and their application to van der Waals complexes and crystals of organic molecules
... different interaction-optimised DZP basis set was used labelled as DZP/ ...the interaction energy contributions of selected small van der Waals complexes ...better interaction ...
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Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding
... It is necessary to note that at short distances, which are the most important for VdW interactions, one can expect effects of inharmonicity, higher multipole interactions, etc. [11,12]. These effects are avoided in the ...
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A Modified van der Waals Mixture Theory for Associating Fluids: Application to Ternary Aqueous Mixtures
... Where ∆ G o , ∆ H o and ∆ S o are standard Gibbs free energy, standard enthalpy and standard entropy of association, respectively. Also, according to Eq. (5), Γ is the ratio of activity coefficient of associated species, ...
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Coherent acoustic phonons in van der Waals nanolayers and heterostructures
... The interaction of coherent phonons with charge carriers could enable new routes for the generation of microwave frequencies as it is done in nano-electromechanical (NEMS) systems in the MHz-GHz frequency range ...
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Active Infrared Nanophotonics in van der Waals Materials
... optical interaction strength of these structures has made them useful in such applications as chemical sensing, 101, 105 and it was recently proposed that similar devices could be possible using graphene to ...
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Renormalization and Universality of Van der Waals forces
... which means that the effective Lagrangian, Eq. (40), be- comes non hermitian L † (x) , L (x). On the other hand, it is well known that three-body unitarity rests on off-shell two-body unitarity [52], a condition which ...
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First Principles Study on Solid Oxygen Using Van der Waals Density Functional
... For ferromagnetic pair, the potential energy curves have a slightly large equilibrium distance with a slightly high binding energy, compared with the quantum chemistry approaches [8, 11][r] ...
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Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts
... In general, dispersion-corrected functionals or those incorporating vdW forces self-consistently tend to increase the adsorption energy of water on metal surfaces. However, the majority of computa- tional ...
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Analytical Model for Charged Polytropic Stars with Van Der Waals Modified Equation of State
... p r , t , ρ , and σ are radial pressure, tangential pressure, energy density, electric field intensity and charge density, respectively and dots denote differentiation with respect to x. In this paper, we assume the ...
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Tuning the valley and chiral quantum state of Dirac electrons in van der Waals heterostructures
... in van der Waals (vdW) heterostructures(14, 15) in which graphene (Gr) and hexagonal boron nitride (hBN) are stacked in a multilayer structure ...
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A giant quantum Hall plateau in graphene coupled to an InSe van der Waals crystal
... We report on a “ giant ” quantum Hall effect plateau in a graphene-based field-effect transistor where graphene is capped by a layer of the van der Waals crystal InSe. The giant quantum Hall effect ...
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Updated Definition of the Three Solvent Descriptors Related to the Van der Waals Forces in Solutions
... It is not easy to foresee the fruitful development of the results here presented. The author has been along all his activity time, interested by the olfaction in a broadest sense of the term, and involved in parallel in ...
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High broad band photoresponsivity of mechanically formed InSe graphene van der Waals heterostructures
... Here, we report on van der Waals graphene/InSe hetero- structures formed by mechanical contact due to attractive vdW forces at the graphene/InSe interface. We exploit the broad- band transparency of ...
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