Annular dark field scanning transmission electron microscope (ADF-STEM) images allow detection of individual dopant atoms located on the surface of or inside a crystal. Contrast between intensities of an atomic column containing a dopant atom and a pure atomic column in ADF-STEM image depends strongly on specimen parameters and microscope conditions. Analysis of multislice-based simulations of ...

The location and nature of the doped elements strongly affect the structural, electronic and optical properties of TiO₂. To tailor the band structure and modify the photoelectrochemical properties of TiO₂, a pair of dopants is selected. Fe and N atoms are inserted in the TiO₂ network at substitutional and interstitial sites with different relative distances. The main objective behind the differ...

Low coercivity is the main disadvantage of RE-Fe-B permanent magnets containing highly abundant rare earths (RE: La, Ce) from the application point of view, even though they exhibit many cost and resource advantages. In this work, an industrial mixed rare earth alloy (RE100 = La30.6Ce50.2Pr6.4Nd12.8) with a high amount of the more abundant elements was adopted to fabricate RE-Fe-B permanent mag...

In order to further improve the energy and power density of state-of-the-art lithium-ion batteries (LIBs), new cell chemistries and, therefore, new active materials with alternative storage mechanisms are needed. Herein, we report on the structural and electrochemical characterization of Fe-doped ZnO samples with varying dopant concentrations, potentially serving as anode for LIBs (Rechargeable...

Using density functional theory (DFT) with the PBE0 density functional we investigated the role of surface dopants in the molecular and dissociative adsorption of O2 onto Al clusters of types Al50, Al50Alad, Al50X and Al49X, where X represents a dopant atom of the following elements Si, Mg, Cu, Sc, Zr, and Ti. Each dopant atom was placed on the Al(111) surface as an adatom or as a substitutiona...

It has been recently shown that manufacturing p-n-junctions, field-effect and bipolar transistors, thyristors in a multilayer structure by diffusion or ion implantation with the optimization of dopant and/or radiation defects leads to increase the sharpness of p-n-junctions (both single p-n-junctions and p-n-junctions framework their system). Due to the optimization, one can also obtain increas...

We evaluated the inducibility of nitrate-dependent Fe(II)-EDTA oxidation (NDFO) in non-growth, chloramphenicol-amended, resting-cell suspensions of Dechloromonas sp. strain UWNR4 and Acidovorax sp. strain 2AN. Cells previously incubated with Fe(II)-EDTA oxidized ca. 6-fold more Fe(II)-EDTA than cells previously incubated with Fe(III)-EDTA. This is the first report of induction of NDFO by Fe(II).

Photocatalysts based on metal-organic frameworks (MOFs) are very promising due to a combination of high tuneability and convenient porous structure. Introducing porphyrin units within MOFs is a potential route to engineer these natural photosynthesis molecular catalysts into artificial photosynthesis heterogeneous catalysts. Using computer simulations based on density functional theory, we expl...

The effect of crystallizing solution chemistry on the subsequently as-grown materials was investigated for Mo-substituted iron oxides prepared by thermally activated co-precipitation. In presence Mo ions, we find that varying oxidation state precursor from Fe(II) to Fe(III) causes a progressive loss atomic long-range order with stabilization 2–4 nm particles sample Fe(III). Fe also affects dist...

Variable-angle high-angle annular dark-field (HAADF) imaging in scanning transmission electron microscopy is developed for precise and accurate determination of three-dimensional (3D) dopant atom configurations. Gd-doped SrTiO3 films containing Sr columns containing zero, one, or two Gd dopant atoms are imaged in HAADF mode using two different collection angles. Variable-angle HAADF significant...