Related papers: Atomic level understanding of site-specific intera…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…
The electronic structure of an atomic-layer-deposited MoS2 monolayer on SiO2 was investigated using X-ray absorption spectroscopy (XAS) and synchrotron X-ray photoelectron spectroscopy (XPS). The angle-dependent evolution of the XAS spectra…
The electronic structures of Sn and Pb implanted SiO2 are studied using soft X-ray absorption (XAS) and emission (XES) spectroscopy. We show, using reference compounds and ab initio calculations, that the presence of Pb-O and Sn-O…
The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present a new…
By using an analogy with axionic like systems, we study light propagation in periodic photonic topological insulator (PTI). The main result of this paper is an explicit expression for the PTI band structure. More specifically, it was found…
In the present work, the effect of different nanofiller (BaTiO3, CeO2, Er2O3 or TiO2) on blend solid polymer electrolyte comprising of PEO and PVC complexed with bulky LiPF6 have been explored. The XRD analysis confirms the polymer…
The optimized effective potential (OEP) method allows for calculation of the local, effective single particle potential of density functional theory for explicitly orbital-dependent approximations to the exchange-correlation energy…
Plasmonic metasurfaces play a crucial role in resonance-driven photocatalytic reactions by effectively enhancing reactivity via localized surface plasmon resonances. Catalytic activity can be selectively modulated by tuning the strength of…
We investigate the photocatalytic performance of nanocomposites prepared in a one-step process by liquid-phase exfoliation of graphite in the presence of TiO$_2$ nanoparticles (NPs) at atmospheric pressure and in water, without heating or…
Topological band insulators have recently been discovered in spin-orbit coupled two and three dimensional systems. In this work, we theoretically predict a class of topological Mott insulators where interaction effects play a dominant role.…
Charge trapping and formation of polarons is a pervasive phenomenon in transition metal oxide compounds, in particular at the surface, affecting fundamental physical properties and functionalities of the hosting materials. Here we…
We demonstrate that the conventional application of linear models to the analysis of optoelectromechanical properties of nanostructures in bandstructure engineering could be inadequate. The focus of the present paper is on a model based on…
The ability of bridging thiophenolate groups to transmit magnetic exchange interactions between paramagnetic Ni(II) ions has been examined. For this purpose, dinuclear and trinuclear Ni(II)-complexes were prepared and fully characterized by…
We present periodic Density Functional Theory calculations of the electronic properties of molecular junctions formed by amine-, and thiol-terminated alkane chains attached to two metal (Au, Ag) electrodes. Based on extensive analysis that…
Titanium dioxide (TiO$_2$) thin films are commonly used as photocatalytic materials. Here, we enhance the photocatalytic activity of devices based on TiO$_2$ by combining nanostructured glass substrates with metallic plasmonic…
Two-dimensional (2D) compounds provide unique building blocks for novel layered devices and hybrid photonic structures. However, large surface-to-volume ratio in thin films enhances the significance of surface interactions and charging…
Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly dependent on particle size and ligand coverage, yet the…
The great potential of Dirac electrons for plasmonics and photonics has been readily recognized after their discovery in graphene, followed by applications to smart optical devices. Dirac carriers are also found in topological insulators…
Spin manipulation in coupled quantum dots is of interest for quantum information applications. Control of the exchange interaction between electrons and holes via an applied electric field may provide a promising technique for such spin…
Heterostructures formed between two different van der Waals materials enable interactions and functionalities absent in each component. In this work we show that vicinity to an atomically thin WSe$_2$ sheet dramatically impacts the energies…