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In the context of friction we use atomistic molecular-dynamics simulations to investigate water confined between graphene sheets over a wide range of pressures. We find that thermal equilibration of the confined water is hindered at high…
Interface engineering of organic-inorganic halide perovskite solar cells (PSCs) plays a pivotal role in achieving high power conversion efficiency (PCE). Graphene and related two-dimensional materials (GRMs) are promising candidates to tune…
The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility…
This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…
The mechanical integrity of composite materials depends primarily on the interface strength and the defect density of the reinforcement which is the provider of enhanced strength and stiffness. In the case of graphene/ polymer…
Here we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the…
The nodal and effectively relativistic dispersion featuring in a range of novel materials including two- dimensional graphene and three-dimensional Dirac and Weyl semimetals has attracted enormous interest during the past decade. Here, by…
The buried interface between the electron transport layer and the perovskite layer suffers from severe interface defects and imperfect energy level alignment. To address this issue, this study employs a multifunctional organic molecule,…
Molecular-scale interactions between solvated macromolecules and solid surfaces govern a large number of processes, from biology to engineering. Yet, despite extensive characterization at the macroscopic level, our molecular understanding…
By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals.…
The contact mechanics of individual, very small particles with other particles and walls is studied using a nanoindenter setup that allows normal and lateral displacement control and measurement of the respective forces. The sliding,…
A theoretical model is proposed for low temperature friction between two smooth rigid solid surfaces separated by lubricant molecules, admitting their deformations and rotations. Appearance of different modes of energy dissipation (by…
Atomistic simulations are powerful tools for investigating tribological phenomena at a fundamental level; however, simulating a tribological system remains challenging due to the multiscale nature of frictional processes. Recently, we…
Colloidal probe Atomic Force Microscopy allows to explore sliding states of vanishing friction, i.e. superlubricity, in mesoscopic graphite contacts. Superlubricity is known to appear upon formation of a triboinduced transfer layer,…
The realization of graphene has provided a bench-top laboratory for quantum electrodynamics. The low-energy excitations of graphene are two-dimensional massless Dirac fermions with opposite chiralities at the $\pm$K valleys of the graphene…
The ice-rubber interface is critical in applications such as tires and shoe outsoles, yet its molecular tribology remains unclear. Using all-atom molecular dynamics simulations, we studied premelting layers at the basal face of ice in…
In contrast with the diversity of materials found in nature, most robots are designed with some combination of aluminum, stainless steel, and 3D-printed filament. Additionally, robotic systems are typically assumed to follow basic…
Conceptual 2D group III nitrides and oxides (e.g., 2D InN and 2D InO) in heterostructures with graphene have been realized by metalorganic chemical vapor deposition (MOCVD). MOCVD is credited with being central to fabrication of established…
The locomotion of flexible membrane-like organisms on top of curved surfaces appears in different contexts and scales. Still, such dynamics have not yet been quantitatively modeled and no realization of such motion in manmade systems has…
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…