Related papers: Avalanche-like lithium intercalation and intrapart…
We study the statistical properties of the yielding transition in model amorphous solids in the limit of slow, athermal deformation. Plastic flow occurs via alternating phases of elastic loading punctuated by rapid dissipative events in the…
Instantons, semi-classical trajectories of quantum tunneling in imaginary time, have long been used to study thermodynamic and transport properties in a myriad of condensed matter and high energy systems. A recent experiment in…
Controlled defect creation is a prerequisite for the detailed study of disorder effects in materials. Here, we irradiate a graphene/Ir(111)-interface with low-energy Ar+ to study the induced structural changes. Combining computer…
Intercalation materials are promising candidates for reversible energy storage and are, for example, used as lithium-battery electrodes, hydrogen-storage compounds, and electrochromic materials. An important issue preventing the more…
We discuss the effect of certain types of static disorder, like that induced by curvature or topological defects, on the quantum correction to the conductivity in graphene. We find that when the intervalley scattering time is long or…
As a storage material for Li-ion batteries, graphene/molybdenum disulfide (Gr/MoS2) composites have been intensively studied in experiments. But the relevant theoretical works from first-principles are lacking. In the current work,…
Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…
A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…
The diffusion, penetration and intercalation of metallic atomic dopants is an important question for various graphite applications in engineering and nanotechnology. We have performed systematic first-principles calculations of the…
Non-diffusive effects in charge transport become relevant as device sizes and features become comparable to the electronic mean free path. As a model system, we investigate the electric transport around mesoscopic defects in graphene with…
Crystalline to amorphous phase transformation during initial lithiation in (100) silicon-wafers is studied in an electrochemical cell with lithium metal as the counter and reference electrode. It is demonstrated that severe stress jumps…
Understanding the interactions of ambient molecules with graphene and adjacent dielectrics is of fundamental importance for a range of graphene-based devices, particularly sensors, where such interactions could influence the operation of…
In this paper, we study weakly interacting diffusion processes on random graphs. Our main focus is on the properties of the mean-field limit and, in particular, on the nonuniqueness and bifurcation structure of stationary states. By…
We have experimentally investigated the expansion mechanism induced by laser irradiation of H2SO4 intercalated graphite. Intercalated graphite materials irradiated by laser allows to study reactions occurring in confined chemical…
Disordered systems submitted to a slowly increasing external stress often reacts with a jerky dynamics characterized by bursts of activity, called avalanches, which are the manifestation of an out-of-equilibrium phase transition. This…
Understanding disorder in graphene is essential for electronic applications; in contrast to conventional materials, the extraordinarily low electron-phonon scattering1, 2 in graphene implies that disorder3-7 dominates its resistivity even…
Disordered materials under an imposed forcing can display creep and aging effects, accompanied by intermittent, spatially heterogeneous dynamics. We propose a unifying microscopic description of these phenomena, based on the notion that as…
Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…
The design of novel cathode materials for Li-ion batteries would greatly benefit from accurate first-principles predictions of structural, electronic, and magnetic properties as well as intercalation voltages in compounds containing…
The avalanche mixing of granular solids in a slowly rotated 2D upright drum is studied. We demonstrate that the account of the difference $\delta$ between the angle of marginal stability and the angle of repose of the granular material…