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MXenes are a family of 2D transition metal carbides and nitrides with remarkable properties and great potential for energy storage and catalysis applications. However, their oxidation behavior is not yet fully understood, and there are…
The high electrical conductivity and good chemical stability of MXenes offer hopes for their use in many applications, such as wearable electronics, energy storage, or electromagnetic interference shielding. While their optical, electronic…
Hydrocarbon tribopolymer, a type of polymer formed due to friction between surfaces, is a major impediment to the development of micro- and nanoelectromechanical systems (MEMS/NEMS) devices for industrial application. Tribopolymer buildup…
By using ab-initio-accurate force fields and molecular dynamics simulations we demonstrate that the layer stiffness has profound effects on the superlubricant state of two-dimensional van der Waals heterostructures. These are engineered to…
Thermoelectricity is a next-generation solution for efficient waste heat management. Although various thermoelectric materials exist, there is still a lot of scope for advancement, especially in room temperature applications. Recently,…
The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…
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…
High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary HE-MBene compositions from the {Ti, V, Cr,…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
Black phosphorus and its single-layer constituent, phosphorene, have emerged as promising two-dimensional materials with remarkable tribological properties. However, recent experimental investigations revealed that the their lubricating…
Metal carbides, nitrides, or carbonitrides of early transition metals, better known as MXenes, possess notable structural, electrical, and magnetic properties. Analyzing electronic structures by calculating structural stability, band…
MXenes stand out from other 2D materials because they combine very good electrical conductivity with hydrophilicity, allowing cost-effective processing as thin films. Therefore, there is a high fundamental interest in unraveling the…
MXenes with versatile chemistry and superior electrical conductivity are prevalent candidate materials for energy storage and catalysts. Inspired by recent experiments of hybridizing MXenes with carbon materials, here we theoretically…
In this study, we employed lateral force microscopy, a specialized technique within atomic force microscopy, to explore the nanoscale frictional properties of 2D SnSe and SnSe$_2$ layers, and we compared these findings with graphene, a…
Ti$_3$C$_2$T$_x$ is a leading compound within the MXenes family and can find host in widespread applications. It is synthesized by selectively etching layers from the Ti$_3$AlC$_2$ precursor, and this process typically introduces surface…
Recently, robustness of superconductivity (transition temperature, Tc) under high pressures has been observed in high-entropy alloy (HEA), bcc-type Ti-Zr-Hf-Nb-Ta, and HEA-type compounds (Ag,In,Sn,Pb,Bi)Te with a NaCl-type structure. Since…
The layered structure and the rheological properties of anti-wear films, generated in a rolling/sliding contact from lubricants containing zinc dialkyldithiophosphate (ZDTP) and/or molybdenum dialkyldithiocarbamate (MoDTC) additives, have…
We experimentally study the surface roughness and the lateral friction force in single-layer MoS2 crystals deposited on different substrates: SiO2, mica and hexagonal boron nitride (h-BN). Roughness and sliding friction measurements are…
Recent theoretical and practical research has focused on multi-component High Entropy Alloys (HEAs), which have superior mechanical and functional properties than standard alloys based on a single major element, thereby establishing a new…
MXenes are a new, and growing, family of 2D materials with very promising properties for a wide variety of applications. Obtained from the etching of MAX phases, numerous properties can be targeted thanks to the chemical richness of the…