Related papers: Oxygen Deficient {\alpha}-MoO3 with Promoted Adsor…
Perovskite oxides are promising for energy and quantum technologies, but wide-gap hosts such as NaAlO3 suffer from deep-UV absorption and limited carrier transport. Using first-principles GGA+U+SOC calculations, we investigate Eu3+-, Gd3+-,…
We provide experimental and theoretical evidence for a novel type of pressure-induced insulator-metal transition characterized by site-selective delocalization of the electrons. M\"ossbauer spectroscopy, X-ray diffraction and electrical…
We report the synthesis of alpha-Fe1.4Ga0.6O3 compound and present its structural phase stability and interesting magnetic, dielectric and photo-absorption properties. In our work Ga doped alpha-Fe2O3 samples are well stabilized in alpha…
Mn3TeO6 (MTO) has been experimentally found to adopt a P21/n structure under high pressure, which exhibits a significantly smaller band gap compared to the atmospheric R-3 phase. In this study, we systematically investigate the magnetism,…
Ulta-wide bandgap semiconductors based on $\beta$-Ga$_2$O$_3$ offer the potential to achieve higher power switching performance, efficiency, and lower manufacturing cost than today's wide bandgap power semiconductors. However, the most…
It has been demonstrated in previous experimental and computational work that doping CeO2 with transition metals is an effective way of tuning its properties. However, each previous study on CeO2 doping has been limited to a single or a few…
Because of relatively low electron mobility of Ga2O3, it is important to identify proper current spreading materials. Fluorine-doped SnO2 (FTO) offers superior properties to those of indium tin oxide (ITO) including higher thermal…
One of the most active research areas in the world is the search for effective materials for use in the fields of optoelectronics and photovoltaics. The potential of materials like ATiO3 (A=Ti,Sr) is yet largely untapped. Ab initio studies…
Oxygen adsorption onto Ru (10 bar 1 0) results in the formation of two ordered overlayers, i.e. a c(2 times 4)-2O and a (2 times 1)pg-2O phase, which were analyzed by low-energy electron diffraction (LEED) and density functional theory…
In this work, we develop a rapid reactive vapor transport technique to efficiently utilize limited isotopically pure precursors, particularly gaseous 18O2, and synthesize mm-scale, high-quality crystals within few-minute growth durations.…
The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…
Fluorine-doped tin oxide (FTO) is a key transparent conductive oxide for photovoltaic and optoelectronic devices, yet its high reflectance limits light-trapping efficiency. This work demonstrates a simple DC plasma sputtering approach to…
We report on the large-scale synthesis of highly oriented ultrathin MoO3 layers using a simple and low-cost atmospheric pressure by van der Waals epitaxy growth on muscovite mica substrates. By this method we are able to synthetize high…
Metal organic frameworks are nano porous adsorbents of relevance to gas separation and catalysis, and O2 separation from air is essential to diverse industrial applications. A metal organic framework Fe2(DOBDC), also known as a MOF74, can…
Dielectric properties of {\alpha}-MoO3 are investigated by a combination of valence electron-energy loss spectroscopy and ab initio calculation at the random phase approximation level with the inclusion of local-field effects (LFE). A…
We study the transport properties in SrVO3/LaVO3 (SVO/LVO) superlattices deposited on SrTiO3 (STO) substrates. We show that the electronic conduction occurs in the metallic LVO layers with a galvanomagnetism typical of a 2D Fermi surface.…
We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1 nm) in BiFeO3, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy…
The engineering of magnetic order and electronic states in two-dimensional (2D) materials is pivotal for advanced spintronic technologies. Despite their potential, the scarcity of intrinsic 2D ferromagnets remains a critical challenge.…
Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate…
The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…