Related papers: Thermally Induced Structural Evolution and Nanosca…
Two-dimensional transition metal dichalcogenides (TMDs) represent an ideal testbench for the search of materials by design, because their optoelectronic properties can be manipulated through surface engineering and molecular…
Thermoelectric properties in topological insulator Bi2Se3 are explored with multifaceted strategies, i.e., hybrid functional with strain and artificial intelligence methodology. The assessment with the experimental band gap values…
We calculate the effects of doping nanostructuration and the patterning of thin films of high-temperature superconductors (HTS) with the aim of optimizing their functionality as sensing materials for resistive transition-edge bolometer…
Iron oxide nano particles with nominal Fe2O3 stoichiometry were synthesized by a wet, soft chemical method with the heat treatment temperatures from 250{\deg}C to 900{\deg}C in air. The variation in the structural properties of the nano…
Topological photonics holds the promise for enhanced robustness of light localization and propagation enabled by the global symmetries of the system. While traditional designs of topological structures rely on lattice symmetries, there is…
We report on \textit{in situ} growth of crystalline Al and Nb shells on InAs nanowires. The nanowires are grown on Si(111) substrates by molecular beam epitaxy (MBE) without foreign catalysts in the vapor-solid mode. The metal shells are…
Tetradymite-structured chalcogenides such as bismuth telluride Bi_{2}Te_{3} are of significant interest for thermoelectric energy conversion and as topological insulators. Dislocations play a critical role during synthesis and processing of…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
Understanding and controlling nanoparticle coalescence is crucial for applications ranging from catalysis to nanodevice fabrication, yet the behavior of nanoparticles on dynamically evolving, heterogeneous substrates remains poorly…
Transition metal dichalcogenides (TMDs) are a class of two-dimensional (2D) materials been widely studied for emerging electronic properties. In this work, we use computational simulations to examine the water adsorption on TMDs…
Among the many potential applications of topological insulator materials, their broad potential for the development of novel tunable plasmonics at THz and mid-infrared frequencies for quantum computing, terahertz detectors, and spintronic…
Twisted bilayers offer a compelling and, at times, confounding platform for the engineering of new twistronic materials. Whereas standard studies almost exclusively focus on the explicit enigma that is presented by twist-angles, perhaps…
Tin chalcogenides (SnS, SnSe, and SnTe) are found to have improved thermoelectric properties upon the reduction of their dimensionality. Here we found the tilted AA + s stacked two-dimensional (2D) SnTe bilayer as the most stable phase…
Thermoelectric effects are highly sensitive to the asymmetry in the density of states around the Fermi energy and can be exploited as probes of the electronic structure. We experimentally study thermopower in high-quality monolayer…
Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…
Transition metal penta-tellurides, ZrTe5 and HfTe5 have been recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showing topological phase transitions. In this study, we…
The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we…
Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
The recent discovery of superconductivity in Ruddlesden-Popper bilayer nickelate La3Ni2O7 under pressure has drawn a lot of interest. La3Ni2O7 is isostructural with cuprates in some respect. Investigation of its properties will undoubtedly…