| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Tao, Shuxia
Eindhoven University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (35/35 displayed)
- 2024Probing the Reactivity of ZnO with Perovskite Precursorscitations
- 2024Temperature-Dependent Chirality in Halide Perovskitescitations
- 2023Unraveling the Broadband Emission in Mixed Tin-Lead Layered Perovskitescitations
- 2023Unraveling the Broadband Emission in Mixed Tin-Lead Layered Perovskitescitations
- 2023In Situ IR SpectroscopyStudies of AtomicLayer-Deposited SnO2 on Formamidinium-Based Lead Halide Perovskitecitations
- 2023In Situ IR SpectroscopyStudies of AtomicLayer-Deposited SnO2 on Formamidinium-Based Lead Halide Perovskitecitations
- 2023The role of sulfur in sulfur-doped copper(I) iodide p-type transparent conductorscitations
- 2023Calculating the Circular Dichroism of Chiral Halide Perovskites:A Tight-Binding Approachcitations
- 2023Effect of the Precursor Chemistry on the Crystallization of Triple Cation Mixed Halide Perovskitescitations
- 2023Calculating the Circular Dichroism of Chiral Halide Perovskitescitations
- 2022Decomposition of Organic Perovskite Precursors on MoO 3 :Role of Halogen and Surface Defectscitations
- 2022Decomposition of Organic Perovskite Precursors on MoO3citations
- 2022What Happens at Surfaces and Grain Boundaries of Halide Perovskites:Insights from Reactive Molecular Dynamics Simulations of CsPbI 3citations
- 2022Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principlescitations
- 2022What Happens at Surfaces and Grain Boundaries of Halide Perovskitescitations
- 2021Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Bindingcitations
- 2021Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3citations
- 2021Stretchable AgX (X = Se, Te) for Efficient Thermoelectrics and Photovoltaicscitations
- 2021Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3:A Reactive Force Field Molecular Dynamics Studycitations
- 2021Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding:GFN1-xTB Methodcitations
- 2020Dopant site in indium-doped SrTiO3 photocatalystscitations
- 2020Dopant site in indium-doped SrTiO 3 photocatalystscitations
- 2020Efficient modelling of ion structure and dynamics in inorganic metal halide perovskitescitations
- 2019Absolute energy level positions in tin- and lead-based halide perovskitescitations
- 2019Efficient intraband hot carrier relaxation in Sn and Pb perovskite semiconductors mediated by strong electron-phonon couplingcitations
- 2018Efficient intraband hot carrier relaxation in the Perovskite semiconductor Cs1- xRbxSnI3 mediated by strong electron-phonon couplingcitations
- 2018Partially replacing Pb2+ by Mn2+ in hybrid metal halide perovskitescitations
- 2018Partially replacing Pb 2+ by Mn 2+ in hybrid metal halide perovskites:Structural and electronic propertiescitations
- 2018Cs1−xRbxSnI3 light harvesting semiconductors for perovskite photovoltaicscitations
- 2018Probing the occupied and unoccupied density of states of hybrid Perovskites
- 2018Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaicscitations
- 2014Electron emission processes in photocathodes and dynodescitations
- 2011DFT studies of hydrogen storage properties of Mg0.75Ti0.25citations
- 2010Analysis of deformation twins and the partially dehydrogenated microstructure in nanocrystalline magnesium hydride (MgH2) powdercitations
- 2008Cubic MgH2 stabilized by alloying with transition metals : a density functional theory studycitations
Places of action
| Organizations | Location | People |
|---|
article
Analysis of deformation twins and the partially dehydrogenated microstructure in nanocrystalline magnesium hydride (MgH2) powder
Abstract
Cryo-stage transmission electron microscopy (TEM), supported by Density Functional Theory (DFT), is employed to explore the microstructure of magnesium hydride (MgH2) powders. Mechanical milling results in deformation twinning of the hydride. The crystallography of the twins is established. DFT analysis shows that the twin unit cell is just as thermodynamically stable as the undeformed α-MgH2 matrix. It is hypothesized that the twins contribute significantly to the observed milling-induced kinetic enhancement by acting as high diffusivity paths for hydrogen. Energy-filtered TEM analysis on partially desorbed MgH2 demonstrates that nucleation and growth of metallic magnesium occurs non-uniformly. Larger powder particles are a composite of isolated magnesium grains heterogeneously nucleated on the remaining hydride. Smaller particles are either fully transformed to magnesium or remain entirely a hydride. There is little evidence for any “core–shell” structure. It is also shown that in situ hydrogen desorption in the TEM is not representative of the elevated-temperature ex situ sequence.