Related papers: Variation in interface strength of Silicon with su…
Transition metal carbides/nitrides (MXenes) are a newly developing class of two-dimensional (2D) materials with technically robust properties that can be finely tuned by planar surface functionalization. Herein, the critical role of oxygen…
We report on surface effects on the electronic properties of interfaces in epitaxial LaAlO$_3$/SrTiO$_3$ heterostructures. Our results are based on first-principles electronic structure calculations for well-relaxed multilayer…
Here, we report the first successful exfoliation of two-dimensional Ti$_3$C$_2$T$_x$ MXene through selective etching of silicon from titanium silicon carbide (Ti$_3$SiC$_2$) MAX. The successful etching and exfoliation of MXene is confirmed…
Excitons in organic crystalline semiconductors play a crucial role in the operation of optoelectronic devices such as organic solar cells, light-emitting diodes, and photodetectors. The excitonic properties of materials are dramatically…
We present a unique experimental configuration that allows us to determine the interfacial forces on nearly parallel plates made from the thinnest possible mechanical structures, single and few layer graphene membranes. Our approach…
Surfaces of metal oxides at working conditions are usually electrified due to the acid-base chemistry. The charged interface compensated with counterions forms the so-called electric double layer. The coupling of surface chemistry and…
This study presents a comprehensive investigation of chemical, structural, and magnetic properties of Ti/Ni multilayer systems with period thicknesses of 4 nm and 10 nm. Particular attention was paid to the characterization of the…
MXenes are promising candidates for electrochemical applications due to their high conductivity, tunable surface chemistry, and catalytic potential. However, their use in bulk electrode form remains unexplored despite advantages such as…
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…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
In this study, we employ first-principles density functional theory (DFT) calculations to investigate the electrochemical properties of Nb2C and Nb2CO2 MXenes as potential anode materials for sodium-ion (SIBs) and lithium-ion batteries…
Understanding the interfacial electrical properties between metallic electrodes and low dimensional semiconductors is essential for both fundamental science and practical applications. Here we report the observation of thickness reduction…
The effect of the AlOx barrier thickness on magnetic and morphological properties of Ta/Co/(AlOx)/Alq3/Si hybrid structures was systematically studied by means of atomic force microscopy, SQUID magnetometry and nuclear magnetic resonance…
Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through interaction with a substrate, whether their topological…
Three single-layer tetragonal silicon carbides (SiC), termed as T1,T2 and T3, are proposed by density functional theory (DFT) computations. Although the three structures have the same topological geometry, they show versatile electronic…
The practical applications of lithium selenium (Li-Se) batteries are impeded primarily due to the dissolution and migration of higher order polyselenides (Li2Sen) into the electrolyte (known as shuttle effect) and inactive deposition of…
Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…
The structural, electronic, and adhesive properties of Cu/SiO$_2$ interfaces are investigated using first-principles density-functional theory within the local density approximation. Interfaces between fcc Cu and $\alpha$-cristobalite(001)…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO_2 interface, especially the (001)-oriented interface used in most devices. Although Si is crystalline…