Related papers: Insulating titanium oxynitride for visible light p…
Sodium-titanate \ce{Na2Ti3O7} (NTO) is regarded as a highly promising anode material with a very low voltage for Na-ion batteries and capacitors, but suffered from relatively low specific capacity and poor electron conductivity. Here we…
Amorphous oxide thin films play a fundamental role in state-of-the art interferometry experiments, such as gravitational wave detectors where these films compose the high reflectance mirrors of end and input masses. The sensitivity of these…
Access to safe drinking water remains a major challenge in rural areas of developing countries. This study investigates the feasibility of a simple, low-cost solar photocatalytic reactor coated with commercial titanium dioxide (TiO$_2$) for…
Photonic integrated circuits based on Lithium Niobate have demonstrated the vast capabilities afforded by material with a high Pockels coefficient, allowing linear and high-speed modulators operating at CMOS voltage levels for applications…
Metal oxide thin films are of great interest in scientific advancement, particularly semiconductor thin films in transistors and in a wide range of optoelectronic applications. Many metal oxide thin films attract interest for their…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
The increasing demand for efficient hardware in neural computation highlights the limitations of electronic-based systems in terms of speed, energy efficiency, and scalability. Wavelength-division multiplexing (WDM) photonic neural networks…
We present a guide for the design and fabrication of a CMOS-compatible metamaterial microstructure as an absorber of visible light with exceptionally high absorption efficiency (~ 98%), for wavelengths 400nm-700nm. The structural parameters…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO$_2$)$_n$ clusters), to accurately determine low energy metastable structures that can play a major role with enhanced catalytic…
Materials with strong $\chi^{(2)}$ optical nonlinearity, especially lithium niobate, play a critical role in building optical parametric oscillators (OPOs). However, chip-scale integration of low-loss $\chi^{(2)}$ materials remains…
Oxygen-deficient TiO$_2$ in the rutile structure as well as the Ti$_3$O$_5$ Magn{\'e}li phase is investigated within the charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT). It is…
We theoretically investigate Sn(II) phosphates as optoelectronic materials using first principles calculations. We focus on known prototype materials Sn$_n$P$_2$O$_{5+n}$ (n=2, 3, 4, 5) and a previously unreported compound, SnP$_2$O$_6$…
Due to its tunable band gap, anisotropic behavior, and superior thermoelectric properties, device applications using layered tellurene (Te) are becoming attractive. Here, we report a thinning technique for exfoliated tellurene nanosheets…
Oxygen deficient titanium dioxide (TiO$_{2-x}$) is a very attractive material for several applications ranging from photocatalysis to resistive switching. Oxygen vacancies turn insulating anatase titanium dioxide into a polaronic conductor,…
The solar water splitting process assisted by semiconductor photocatalysts attracts growing research interests worldwide for the production of hydrogen as a clean and sustainable energy carrier. Due to their optical and electrical…
Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…
We have made a detailed temperature-dependent photoemission study of VO_2/TiO_2(001) thin films, which show a metal-insulator transition at \sim 300 K. Clean surfaces were obtained by annealing the films in an oxygen atmosphere. Spectral…
The bandstructure of the prototypical charge-transfer insulator NiO is computed by using a combination of an {\it ab initio} bandstructure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a…
We directly compare the effect of metallic titanium (Ti) and insulating titanium dioxide (TiO2) on the transport properties of single layer graphene. The deposition of Ti results in substantial n-type doping and a reduction of graphene…