Related papers: Tuning Interfacial Water Friction through Moir\'e …
This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement between graphene sheets. By means of molecular dynamics simulations, an adsorption of water molecules…
Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its monolayers. As a remarkable feature, both the electronic flat bands and the corresponding…
Various properties of water are affected by confinement as the space-filling of the water molecules is very different from bulk water. In our study, we challenged the creation of a stable system in which water molecules are permanently…
Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full atomic relaxation across a wide range of twist angles down to…
Stacking two-dimensional layered materials such as graphene and transitional metal dichalcogenides with nonzero interlayer twist angles has recently become attractive because of the emergence of novel physical properties. Stacking of…
In twisted bilayer graphene (TBG) devices, local strains frequently coexist and intertwine with the twist-angle-dependent moir\'e superlattice, significantly influencing the electronic properties of TBG, yet their combined effects remain…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
Twisted bilayered graphenes at magic angles are systems housing long ranged periodicity of Moir\'e pattern together with short ranged periodicity associated with the individual graphenes. Such materials are a fertile ground for novel states…
Observation of strong correlations and superconductivity in twisted-bilayer-graphene have stimulated tremendous interest in fundamental and applied physics. In this system, the superposition of two twisted honeycomb lattices, generating a…
We study the effect of electron-acoustic phonon interactions in twisted bilayer graphene on resistivity in the high-temperature transport and superconductivity in the low-temperature phase diagram. We theoretically show that twisted bilayer…
We introduce a new approach that allows one complete control over the modulation of the effective twist angle change in few-layer van der Waals heterostructures by irradiating them with longitudinal waves of light at the end of a waveguide.…
Friction is one of the main sources of dissipation at liquid water/solid interfaces. Despite recent progress, a detailed understanding of water/solid friction in connection with the structure and energetics of the solid surface is lacking.…
The discoveries of numerous exciting phenomena in twisted bilayer graphene (TBG) are stimulating significant investigations on moir\'e structures that possess a tunable moir\'e potential. Optical response can provide insights into the…
We analyze the elastic properties, structural effects, and low-energy physics of a sheared nanoribbon placed on top of graphene, which creates a gradually changing moire pattern. By means of a classical elastic model we derive the strains…
Recent experiments have shown that the out-of-plane dielectric constant of water confined in nanoslits of graphite and hexagonal boron nitride (hBN) is vanishingly small. Despite extensive effort based mainly on classical force-field…
The discovery of different phases as a result of correlations, especially in low-dimensional materials, has been always an exciting and fundamental subject of research. Recent experiments on twisted bilayer graphene have revealed reentrant…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
Bilayer graphene twisted by a small angle shows a significant charge modulation away from neutrality, as the charge in the narrow bands near the Dirac point is mostly localized in the regions of the Moir\'e pattern with $AA$ stacking. The…
Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moir\'e quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic…
Graphene nanochannels are relevant for their possible applications, as in water purification, and for the challenge of understanding how they change the properties of confined liquids. Here, we use all-atom molecular dynamics simulations to…