693.932 PEOPLE
| 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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Jacobsen, Karsten Wedel
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (30/30 displayed)
- 2020Minimum-strain symmetrization of Bravais latticescitations
- 2019High-Entropy Alloys as a Discovery Platform for Electrocatalysiscitations
- 2019Shining Light on Sulfide Perovskites: LaYS 3 Material Properties and Solar Cellscitations
- 2019Shining Light on Sulfide Perovskites: LaYS3 Material Properties and Solar Cellscitations
- 2018Machine learning-based screening of complex molecules for polymer 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
- 2017Nanocrystalline metals: Roughness in flatlandcitations
- 2017Determination of low-strain interfaces via geometric matchingcitations
- 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
- 2013Bandgap Engineering of Double Perovskites for One- and Two-photon Water Splittingcitations
- 2013Stability and bandgaps of layered perovskites for one- and two-photon water splittingcitations
- 2013Density functional theory studies of transition metal nanoparticles in catalysis
- 2012Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory studycitations
- 2012Computational screening of perovskite metal oxides for optimal solar light capturecitations
- 2012Spatially resolved quantum plasmon modes in metallic nano-films from first-principles
- 2011Nonlocal Screening of Plasmons in Graphene by Semiconducting and Metallic Substrates:First-Principles Calculationscitations
- 2011Nonlocal Screening of Plasmons in Graphene by Semiconducting and Metallic Substratescitations
- 2011Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfacescitations
- 2010Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glassescitations
- 2010Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glassescitations
- 2010Graphene on metals: A van der Waals density functional studycitations
- 2006Atomistic simulation study of the shear-band deformation mechanism in Mg-Cu metallic glassescitations
- 2004Simulation of Cu-Mg metallic glass: Thermodynamics and structurecitations
- 2004Atomistic simulations of Mg-Cu metallic glasses: Mechanical propertiescitations
- 2004Simulations of intergranular fracture in nanocrystalline molybdenumcitations
- 2003A maximum in the strength of nanocrystalline copper
Places of action
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booksection
Computational Screening of Light-absorbing Materials for Photoelectrochemical Water Splitting
Abstract
Efficient conversion of solar energy into electricity or fuels requires the identification of new semiconductors with optimal optical and electronic properties. We discuss the current and future role that computational screening is expected to play in this challenge. We discuss the identification of new computable descriptors characterising optimal materials performance, and we outline different search strategies in the materials screening. Finally, we describe some of the screening results obtained for perovskites, 2D materials, and for materials extracted from crystallographic databases.