van der Waals surface
Effect of van der Waals corrections on DFT-computed metallic surface properties
... metals, surface properties Abstract State-of-the-art van der Waals (vdW) corrected density functional theory (DFT) is routinely used to overcome the failure of standard DFT in the description ...
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Femtosecond Photodissociation Dynamics of van der Waals Cationic Clusters: a tool for detecting metastable isomers of organic cations
... C − (noted Z in Figure (2)). Because of the CI, the change of the electronic configuration, which can be viewed as a non-radiative V to Z energy transfer, occurs with no surface hopping of the wavepacket. The time ...
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Analytical and numerical computations of the van der Waals force in complex geometries: Application to the filtration of colloidal particles
... the van der Waals interaction energy are direct molecular simu- lations including N-body interactions, explicit computation of the mean electromagnetic (EM) stress tensor [6], and many other meth- ...
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Van der Waals interaction between a moving nano-cylinder and a liquid thin film
... We study the static and dynamic interaction between a horizontal cylindrical nano-probe and a thin liquid film. The effects of the physical and geometrical parameters, with a special focus on the film thickness, the probe ...
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Electronic band structure of Two-Dimensional WS 2 /Graphene van der Waals Heterostructures
... at the valence band. This spin-valley coupling forms the basis for manipulation of spin and valley degrees of freedom in these 2D semiconductors. Angle resolved photoemission spectroscopy (ARPES) is one of the most ...
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Atomically Sharp Interface in an h-BN-epitaxial graphene van der Waals Heterostructure
... To investigate the atomic composition, as well as the chemical bonding environment of our samples, XPS measurements were carried out for the pristine graphene and the h-BN/graphene heterostructure, as shown in Fig. 3. ...
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Van der Waals epitaxy of two-dimensional single-layer h-BN on graphite by molecular beam epitaxy: Electronic properties and band structure
... HOPG surface; the differ- ence in their relative orientation is reflected in different in-plane wave-vectors on which they are centered (white ...the surface containing more than one HOPG ...
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van der Waals Epitaxy of GaSe/Graphene Heterostructure: Electronic and Interfacial Properties
... Figure 1(b) presents the RHEED image of pristine graphene/SiC . Figure 1(c) show the RHEED pattern of GaSe film deposited on epitaxial graphene. Graphene and GaSe display in-plane hexagonal symmetry with hexagon’s sizes ...
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Electrolytic phototransistor based on graphene-MoS 2 van der Waals p-n heterojunction with tunable photoresponse
... , the conductance rises under positive gate bias (i.e. electron injection) which is the expected behavior for a n-type system. In this case, the large current modulation can be mostly attributed to the Fermi level tuning ...
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Two-to-three dimensional transition in neutral gold clusters: the crucial role of van der Waals interactions and temperature
... FIG. S8. Free-energy surfaces of Au 10 at 500 K (left) and 750 K (right). The dominant isomers 10-D (elongated hexagon, D 2h ), 10-E (tri-capped hexagon, C 2h ), 10-F (capped trapezoid, C s ), and 10-G+ have their ...
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A Universal Approach toward Light-Responsive Two-Dimensional Electronics: Chemically Tailored Hybrid van der Waals Heterostructures
... n diodes. The electronic devices based on the hybrid vertical vdWHs displayed multiple current levels with excellent stability and the switchable resistor-diode transition with spatially tunable doping. Interface ...
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Explaining the microtubule energy balance : contributions due to dipole moments, charges, van der Waals and solvation energy
... solvent-accessible surface area; vdW: van der ...energy, van der Waals (vdW) interaction energy, and interaction energy due to solvent-accessible surface area (SASA) are ...
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Two-to-three dimensional transition in neutral gold clusters: the crucial role of van der Waals interactions and temperature
... evidence is lacking due to the difficulty in spectroscopically characterizing neutral gas phase clusters relative to charged clusters. Both experimental and computational studies indicate that dynamic structural ...
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Photomodulation of Charge Transport in All‐Semiconducting 2D–1D van der Waals Heterostructures with Suppressed Persistent Photoconductivity Effect
... straightforward strategy for opening the bandgap in graphene relies on mastering quantum confinement effect via the synthesis of graphene nanoribbons (GNRs), which are narrow strips of graphene with atomically precise ...
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Functional hybrid multilayered van der Waals heterostructures from graphene and self- assembled supramolecular 2D crystals
... hybrid van der Waals (vdW) heterostructures alternating two-dimensional (2D) materials and surface-confined supramolecular self-assemblies of porous crystals into three-dimensional (3D) ...
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Bandgap inhomogeneity of MoS$_2$ monolayer on epitaxial graphene bilayer in van der Waals p-n junction
... peak at binding energy BE ¼ 284.3 eV) and the SiC substrate (BE ¼ 282.6 eV). Respect to an as grown n-doped monolayer epitaxial graphene [18] the G peak presents a shift of about 0.4 eV to lower BE indicating a change in ...
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All Van der Waals Josephson Junctions
... of decoherence in superconducting qubits [ 26 , 27 ]. Amorphous dielectrics are in- troduced to superconducting circuits either by design, as tunneling barriers, or un- intentionally as the device surface ...
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Molecular adsorption on metal surfaces with van der Waals density functionals
... structure rather than the amine-Au interaction [see Fig. 2(b) ]. BDA can also bind to the Au(111) surface [see Fig. 3(a) ] in the cis conformation. In this case, we find that PBE and vdW-DF give similar ...
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Clean 2D superconductivity in a bulk van der Waals superlattice
... surface composed of both Ising and Rashba components (18). These spin-textures, and the resulting physics are suppressed in the bulk limit where the overall unit cell preserves inversion symmetry. We have ...
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Measurement of the van der Waals interaction between two Rydberg atoms
... Looking for improvements We identified three points that could be improved by designing the lens profile ourselves: • First of all, a large proportion of large NA aspheric lenses produced in the industry is used to ...
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