Related papers: Avalanche-like lithium intercalation and intrapart…
We show that when graphene monolayers are disordered, the conductance exhibits a metallic-to-insulating transition, which opens the door to new electronic devices. The transition can be observed by driving the density or Fermi energy…
A so-called artificial graphene is an artificial material whose low-energy carriers are described by the massless Dirac equation. Applying a periodic potential with triangular symmetry to a two-dimensional electron gas is one way to make…
Monolayer graphene is an example of materials with multi-valley electronic structure. In such materials, the valley index is being considered as an information carrier. Consequently, relaxation mechanisms leading to loss of valley…
We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
The hexagonal structure of graphene gives rise to the property of gas impermeability, motivating its investigation for a new application: protection of semiconductor photocathodes in electron accelerators. These materials are extremely…
Attosecond dynamics of electron transmission through atomically-thin crystalline films is studied with an {\em ab initio} scattering theory. The temporal character of the electron propagation through graphene multilayers is traced to the…
Intercalation reactions modify the charge density in van der Waals (vdW) materials through coupled electronic-ionic charge accumulation, and are susceptible to modulation by interlayer hybridization in vdW heterostructures. Here, we…
We report on the results of the first-principle numerical study of spontaneous breaking of chiral (sublattice) symmetry in suspended monolayer graphene due to electrostatic interaction, which takes into account the screening of Coulomb…
The lubricating ability of graphite largely depends on the environmental humidity, essentially the amount of water in between its layers. In general, intercalated molecules in layered materials modify their extraordinary properties by…
We discuss the relevance of methods of graph theory for the study of damage in simple model materials described by the random fuse model. While such methods are not commonly used when dealing with regular random lattices, which mimic…
We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…
We present results of molecular dynamics simulations on lithium metasilicate over a broad range of temperatures for which the silicate network is frozen in but the lithium ions can still be equilibrated. The lithium dynamics is studied via…
Solution-processed few-layers graphene flakes, dispensed to rotating and sliding contacts via liquid dispersions, are gaining increasing attention as friction modifiers to achieve low friction and wear at technologically-relevant…
In this chapter, we discuss avalanches in glasses and disordered systems, and the macroscopic dynamical behavior that they mediate. We briefly review three classes of systems where avalanches are observed: depinning transition of disordered…
Intercalation of different species under graphene on metals is an effective way to tailor electronic properties of these systems. Here we present the successful intercalation of metallic (Cu) and gaseous (oxygen) specimens underneath…
We report the emergence of altermagnetism, a magnetic phase characterized by the coexistence of compensated spin ordering and momentum-dependent spin splitting, in graphite intercalation compounds (GICs), a prototypical material system long…
Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…
Floquet engineering provides a powerful pathway for creating non-equilibrium phases of matter with tailored electronic structures and properties through time-periodic driving. As the original theoretical prototype, graphene established the…
Floquet engineering provides an emerging pathway for tailoring the electronic states of quantum materials through time-periodic drive. A critical step along this direction is achieving light-induced modifications of the dynamical electronic…