Related papers: Influence of Ti$_3^+$ Defect-type on Heterogeneous…
We report magnetic, optical and oxidation states of oxygen deficient TiO$_{2-\delta}$ nanoparticles (NPs) synthesized by environment-friendly green route using Phyllanthus niruri (PN) whole plant extract instead of leaf extract. Rietveld…
Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the…
Our interpretation of terrestrial exoplanet atmospheric spectra will always be limited by the accuracy of the data we use as input in our forward and retrieval models. Ultraviolet molecular absorption cross sections are one category of…
High entropy oxides (HEO) hold the potential to revolutionize the conventional material paradigms by leveraging high order of chemical disorder that induces highly desirable exotic phases for advanced applications. Here, we devise a…
The photoconversion of CO$_2$ to hydrocarbons is a sustainable route to its transformation into value-added compounds and, thereby, crucial to mitigating the energy and climate crises. CuPt nanoparticles on TiO$_2$ surfaces have been…
The Co-doped anatase TiO$_{2}$, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-wave formalism within the local-spin-density approximation…
A workflow is presented for performing pair distribution function (PDF) analysis of defected materials using structures generated from atomistic simulations. A large collection of structures, which differ in the types and concentrations of…
We revisited ab initio evaluations of the energy barriers along the possible diffusion paths of the defects in rutile TiO$_2$. By using a method carefully considering the cancellation of the self-interaction, Ti interstitials hopping along…
We have investigated the atomically-resolved substrate and homoepitaxial thin film surfaces of SrTiO3(001) using low-temperature scanning tunneling microscopy/spectroscopy (STM/STS) combined with pulsed laser deposition (PLD). It was found…
A combination of Photoemission, Atomic Force and Scanning Tunneling Microscopy/Spectroscopy measurements shows that excess electrons in TiO2 anatase (101) surface are trapped at step edges. Consequently, steps act as preferred adsorption…
The structural and electrical properties of Ti-N films deposited by reactive sputtering depend on their growth parameters, in particular the Ar:N2 gas ratio. We show that the nitrogen percentage changes the crystallographic phase of the…
We meticulously study the individual effects of hydrogen irradiation and annealing on the electronic structure and magnetic properties of nanostructured MoS2 thin films grown through Chemical Vapor Deposition (CVD). The role of…
Controlling lattice oxygen reactivity in earth abundant OER catalysts requires precise tuning of defect chemistry in the oxide lattice. Here, we combine DFT+U calculations with plasma assisted synthesis to show how O2 and H2O in the…
Films of Cu-K-In-Se were co-evaporated at varied K/(K+Cu) compositions and substrate temperatures (with constant (K+Cu)/In ~ 0.85). Increased Na composition on the substrate's surface and decreased growth temperature were both found to…
Tuning the valence state and electronic structure of catalytically active sites is crucial for improving Fenton and Fenton-like reactions, which rely on the efficient activation of the H2O2 molecule. Pure TiO2, however, has inadequate…
Low-cost transition metal high-entropy nanoalloys are emerging as sustainable alternatives to platinum group electrocatalysts. Synthesis conditions of single-phase solid solutions can alter phase stability, causing surface composition…
Depth-resolved cathodoluminescence spectroscopy of atomically flat TiO2-terminated SrTiO3 single crystal surfaces reveals dramatic differences in native point defects produced by conventional etching with buffered HF (BHF) and an…
Anatase Ti0.96Co0.04O2 films were grown epitaxially on SrTiO3 (001) substrates by using plused laser deposition with in-situ reflection high-energy electron diffraction. The oxygen partial pressure, PO2, during the growth was systematically…
We present a study on the crystallization process of undoped and Ta doped TiO2 amorphous thin films. In particular, the effect of ultra-fast annealing treatments in environments characterized by different oxygen concentrations is…
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO$_2$ rutile and anatase, two prototypical materials with identical chemical composition but…