Samenstelling en bestendigheid van eenige metaal-ammoniakionen

Information Systems Management in Complex Organizations

Quantum confinement and band offsets in amorphous silicon quantum wells

Quantum wells (QWs) are nanostructures consisting of alternating layers of a low and high band-gap semiconductor. The band gap of QWs can be tuned by changing the thickness of the low band-gap layer, due to quantum confinement effects. Although this principle is well established for crystalline materials, there is still controversy for QWs...

Atomistic models of hydrogenated amorphous silicon nitride from first principles

We present a theoretical study of hydrogenated amorphous silicon nitride (a-SiNx:H), with equal concentrations of Si and N atoms (x=1), for two considerably different densities (2.0 and 3.0?g/cm3). Densities and hydrogen concentration were chosen according to experimental data. Using first-principles molecular-dynamics within density-functional...

First-principles study of hydrogenated amorphous silicon

We use a molecular-dynamics simulation within density-functional theory to prepare realistic structures of hydrogenated amorphous silicon. The procedure consists of heating a crystalline structure of Si64H8 to 2370 K, creating a liquid and subsequently cooling it down to room temperature. The effect of the cooling rate is examined. We prepared a...

Optical response of the sodium alanate system: GW0-BSE calculations and thin film measurements

We calculate from first principles the optical spectra of the hydrides in the sodium alanate hydrogen storage system: NaH, NaAlH4, and Na3AlH6. In particular we study the effects of systematic improvements of the theoretical description. To benchmark the calculations we also measure the optical response of a thin film of NaH. The simplest...

Energy, metastability, and optical properties of anion-disordered R Ox H3-2x (R= Y, La) oxyhydrides: A computational study

In this paper, we investigate by ab initio DFT how the O:H ratio influences the formation and lattice energy, metastability, and optical properties of Y and La anion-disordered ROxH3-2x oxyhydrides. To achieve this, a set of special quasirandom structures (SQS) is introduced to model anion-disorder along the whole RH3-R2O3 composition line. A...

Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism

To develop an understanding of the photochromic effect in rare-earth metal oxyhydride thin films (REH3-2xOx, here RE = Y), we explore the aliovalent doping of the RE cation. We prepared Ca-doped yttrium oxyhydride thin films ((CazY1-z)HxOy) by reactive magnetron cosputtering with Ca doping concentrations between 0 and 36 at. %. All of the...

Erratum to: Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism (The Journal of Physical Chemistry C (2022) 126:34 (14742−14749) DOI:10.1021/acs.jpcc.2c04456)

The energy axes of the RBS and ERD data (contained in Figures 2a,b,d,e, and S4) were originally underestimated, and the corrected figures appear below and in the Supporting Information. The change is in the conversion from raw data to the energy scale, which was initially converted incorrectly. The rescaled x-axis does not change the data...

Technische Hogeschool Delft

Dierlijke celgroei RIVM poliovaccinproduktie

Document uit de collectie Chemische Procestechnologie

A low greenschist facies retrogressive reaction couple controlling Sb mineralisations in the Massif Central, France

This presentation will present the preliminary results of the research, conducted by Hanno de Wijs and myself at the University of Utrecht in the Netherlands, on Sb deposits in the Massif Central in France. The research consists of two parts. One concerning whh the origin of the Sb and the mechanims of release and transport. The second theme is...