| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Pandey, Mohnish
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2019Shining Light on Sulfide Perovskites: LaYS 3 Material Properties and Solar Cellscitations
- 2019Shining Light on Sulfide Perovskites: LaYS3 Material Properties and Solar Cellscitations
- 2018Computational Screening of Light-absorbing Materials for Photoelectrochemical Water Splittingcitations
- 2017Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS 3citations
- 2017Band structure engineered layered metals for low-loss plasmonicscitations
- 2017Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3citations
- 2016Atomically Thin Ordered Alloys of Transition Metal Dichalcogenides: Stability and Band Structurescitations
- 2016Defect-Tolerant Monolayer Transition Metal Dichalcogenidescitations
- 2015Band-gap engineering of functional perovskites through quantum confinement and tunnelingcitations
- 2013Hydroxylation induced stabilization of near-surface rocksalt nanostructure on wurtzite ZnO structurecitations
Places of action
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article
Atomically Thin Ordered Alloys of Transition Metal Dichalcogenides: Stability and Band Structures
Abstract
We explore the possibility of modulating the electronic band edges of the transition metal dichalcogenides (TMD) via alloying of different semiconductors within the same group (intra-group alloying). The stability of the ordered alloys is assessed from the calculated mixing enthalpy which is found to be close to zero for several alloys and below 20 meV/atom for all the alloys. We explore to what extent the electronic properties like the band gap and band edge positions of the alloy can be evaluated by taking the weighted average of the corresponding properties of the pristine systems. In general, this approach works well with the only exception being Cr containing compounds. Because the calculated properties of the alloys are very similar to the weighted averages, we expect that the trends observed for the ordered alloys will also hold for more realistic disordered alloys