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The nitrogen substitution into the oxygen sites of several oxide materials leads to a reduction of the band gap to the visible light energy range, which makes these oxynitride semiconductors potential photocatalysts for efficient solar…
Broadband active materials are pivotal for advancing emerging technologies spanning on-chip optical interconnects, artificial intelligence, quantum systems and precision metrology. Current semiconductor gain media face bandwidth…
Visible light-driven production of fuels and value-added chemicals is currently one of the most intensely investigated research topics across various scientific disciplines, due to its potential to ease the World s dependence on fossil…
Spinodal decomposition is a ubiquitous phenomenon leading to phase separation from a uniform solution. We show that a spinodal decomposition occurs in a unique combination of two rutile compounds of TiO2 and VO2, which are chemically and…
High-entropy oxides (HEOs), as multi-component ceramics with high configurational entropy, have been of recent interest due to their attractive properties including photocatalytic activity for H2 production and CO2 conversion. However, the…
Beta-Ga2O3 is an ultra-wide bandgap semiconductor with emerging applications in power electronics. The introduction of acceptor dopants yields semi-insulating substrates necessary for thin-film devices. In the present work, exposure of…
Thin-film lithium niobate is a promising platform owing to its large electro-optic coefficients and low propagation loss. However, the large footprints of devices limit their application in large-scale integrated optical systems. A crucial…
BiVO4, a visible-light response photocatalyst, has shown tremendous potential because of abundant raw material sources, good stability and low cost. There exist some limitations for further applicaitions due to poor capability to separate…
Rare earth doping is an effective way to convert chemically stable oxides into multifunctional materials with coupled electronic, optical, and magnetic properties. We present first principles calculations of pristine and Tm3+ doped Ca2SnO4…
In this report, the optical properties of Ta doped SrTiO3 (STO) due to its potential in transparent conducting oxides (TCOs) is explored by a combination of theoretical studies based on density functional theory and spectroscopic…
A systematic study of the electronic structure and optical properties of the thio-apatites Ba$_5$(VS$_{\alpha}$O$_{\beta}$)$_3$X (X= Cl, F, Br, I) is carried out through first principles density functional theory simulations. The band gap…
We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and…
The presence of titanium oxide (TiO) and vanadium oxide (VO) gas phase species is searched for in the atmosphere of the hot Jupiter HD209458b. We compared a model for the planets transmitted spectrum to multi-wavelength eclipse-depth…
Highly ordered TiO2 nanotube arrays (TNAs) codoped with V and N were synthesized by electrochemical anodization in association with hydrothermal treatment. The samples were characterized by field emission scanning electron microscopy, X-ray…
The efforts in the optimization of the physical and chemical properties related to the photocatalytic efficiency of TiO2 nanoparticles relies mainly on defect engineering strategies, been the structural and the doping the most common ones.…
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…
Dielectric metasurfaces offer a path to high-efficiency optical components at the sub-wavelength scale. In this work, we utilize the wavelength-dependent birefringence of TiO2 nanopillars to create transmissive color filters with switchable…
In hydrogenated amorphous silicon oxide (a-SiO:H) films, incorporation of oxygen enhances optical gap due to a large number of St-O-Si bond formation, which lies deep into valence band states. An induction effect of this Si-O on other bonds…
Two dimensional (2D) semiconducting light absorbers, have recently considered as promising components to improve the efficiency in the photocatalytic hydrogen production via water splitting. In this work, by employing density functional…
Titanium dioxide has been extensively studied in recent decades for its important photocatalytic application in environmental purification. The search for a method to narrow the optical band-gap of TiO2 plays a key role for enhancing its…