Search results for "van der Waals force"
showing 10 items of 170 documents
Cross-sublattice Spin Pumping and Magnon Level Attraction in van der Waals Antiferromagnets
2020
We theoretically study spin pumping from a layered van der Waals antiferromagnet in its canted ground state into an adjacent normal metal. We find that the resulting dc spin pumping current bears contributions along all spin directions. Our analysis allows for detecting intra- and cross-sublattice spin-mixing conductances via measuring the two in-plane spin current components. We further show that sublattice symmetry-breaking Gilbert damping can be realized via interface engineering and induces a dissipative coupling between the optical and acoustic magnon modes. This realizes magnon level attraction and exceptional points in the system. Furthermore, the dissipative coupling and cross-subla…
Chemical Design and Magnetic Ordering in Thin Layers of 2D Metal–Organic Frameworks (MOFs)
2021
Through rational chemical design, and thanks to the hybrid nature of metal−organic frameworks (MOFs), it is possible to prepare molecule-based 2D magnetic materials stable at ambient conditions. Here, we illustrate the versatility of this approach by changing both the metallic nodes and the ligands in a family of layered MOFs that allows the tuning of their magnetic properties. Specifically, the reaction of benzimidazole-type ligands with different metal centers (MII = Fe, Co, Mn, Zn) in a solventfree synthesis produces a family of crystalline materials, denoted as MUV-1(M), which order antiferromagnetically with critical temperatures that depend on M. Furthermore, the incorporation o…
Strongly confined atomic localization by Rydberg coherent population trapping
2020
In this letter we investigate the possibility to attain strongly confined atomic localization using interacting Rydberg atoms in a Coherent Population Trapping (CPT) ladder configuration, where a standing-wave (SW) is used as a coupling field in the second leg of the ladder. Depending on the degree of compensation of the Rydberg level energy shift induced by the van der Waals (vdW) interaction, by the coupling field detuning, we distinguish between two antiblockade regimes, i.e. a partial antiblockade (PA) and a full antiblockade (FA). While a periodic pattern of tightly localized regions can be achieved for both regimes, the PA allows much faster converge of spatial confinement yielding a …
Interactions between bacterial surfaces and milk proteins, impact on food emulsions stability
2008
Bacteria possess physicochemical surface properties such as hydrophobicity, Lewis acid/base and charge which are involved in physicochemical interactions between cells and interfaces. Moreover, food matrices are complex and heterogeneous media, with a microstructure depending on interactions between the components in media (van der Waals, electrostatic or structural forces, etc.). Despite the presence of bacteria in fermented products, few works have investigated how bacteria interact with other food components. The objective of the present study was to determine the effects of the surface properties of lactic acid bacteria on the stability of model food emulsions. The bacteria were added t…
Coupled cluster calculations of interaction energies in benzene–fluorobenzene van der Waals complexes
2007
Benzene-fluorobenzene complexes are used as model systems to simulate the interactions of the SBB-HCAII protein-ligand complex. Using the second-order Moller-Plesset [MP2] and the coupled cluster singles and doubles including connected triple excitations models recently implemented with Cholesky decompositions we evaluate accurate interaction energies for several benzene-fluorobenzene van der Waals complexes. We consider edge-to-face interactions and compare the results to those from a recent MP2 study and to experimental findings. In contrast to experimental trends, we find that the interaction tends to decrease with increasing fluorination and conclude that benzene-fluorobenzene complexes…
Physical interaction between tip and molecules in scanning force microscopy imaging of adsorbed C60 and fullerene tubules
1994
After the discovery of C60, a large family of fullerene molecules was also identified. Among them, elongated fullerenes are formed by the tubular assembly of carbon atoms. The van der Waals bonds between fullerene molecules are due to the correlations between fluctuating charge densities inside the molecules. The interaction is then dominated by collective excitations which are sensitive to the shape of the molecules. Therefore, van der Waals attraction is expected to be modified when considering successively spherical C60, C70 and more elongated fullerenes (tubules). This paper presents self‐consistent computations of the van der Waals interaction between a (111) diamond probe tip and vari…
Experimental studies on the detachment of multi-walled carbon nanotubes by a mobile liquid interface
2017
International audience; Retention and detachment of colloidal particles from surfaces is often considered only in terms of spontaneous chemical dispersion when the surface is already fully submerged. Nevertheless, interfacial processes, where the particles are caught on a mobile liquid contact line by capillary effects are ubiquitous. Theoretical description of such interfacial processes exist for spherical microcolloids, while for anisotropic shapes the literature is limited. Arc-discharge synthesized multiwalled carbon nanotube (MWNT) material contains besides the very anisotropic tubes also irregular amorphous carbon particles (ACP) that both are strongly hydrophobic. As a water–air–soli…
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
2014
The physisorption of molecular hydrogen onto coronene is studied using a multi-scale theoretical approach with Density Functional Theory (DFT) calculations and Molecular Dynamics (MD) simulations. We consider two different kinds of model conformation for the approach of hydrogen towards the coronene i.e., systematic and random. For the systematic attack of hydrogen over coronene, the resulting potential energy profiles from DFT analysis are further found to resemble the Morse potential, and even the highly flexible Murrell–Sorbie (M–S) potential. The resulting M–S fitting also shows a zero-point energy correction of ∼16–17%. On the other hand, the potential energies from the random approach…
A CI study of the CuCO and CuCO+ complexes
1987
MO CI calculations are carried out using an optimal space of valence virtual MOs obtained by means of a projection technique, as a linear combination of the AOs which are more occupied in the molecular Fock space. Localization of the occupied MOs and nonvalence virtual MOs is also achieved. The overall procedure is proven to be quite advantageous and well suited to obtain potential energy curves which keep the same physical meaning along the range of distances studied. Using a slightly better than double‐zeta quality basis set, a valence CAS‐CI, and selected CI wave function by the CIPSI algorithm have revealed a possible weak van der Waals interaction for the 2Σ+ state of CuCO, which remai…
Investigations of Surface Forces between Gypsum Microcrystals in Air Using Atomic Force Microscopy
2000
This article introduces a new approach to the study of the interactions between gypsum faces in air. We have mounted a gypsum crystal on the end of a microcantilever to measure local forces (van der Waals, capillary forces, electrostatic) directly between two crystals. A systematic study with respect to the orientation of crystalline faces, relative humidity, and the duration of contact between crystals improves the understanding of the mechanism involved in the hardening of plaster in air. In dry air, a physicochemical process of matter transfer is added to the van der Waals forces to ensure the cohesion. Others force measurements were performed by varying the shape of the contact (interac…