Transition metal dichalcogenide nanostructures as catalysts for chemical reactions in clean energy production
ORAL
Abstract
Semiconducting transition metal dichalgogenides (TMDs) attract a lot of interest for optoelectronics, catalysis and energy related applications. Dimensionality, strain1, environment and nanostructuring, affect electronic properties and intensive efforts focus on their controlled modification. We present DFT calculations for the stability and electronic structure of monolayer and quasi-1D MX2 (M=Mo, W and X=S, Se), with several concentrations of adsorbed H, O and OH and compare our results with pristine systems. The metallic character of the edge states is preserved for all TMD nanoribbons examined2, albeit Fermi level shifts that depend on the adsorbed atoms. We focus on tuning electronic properties for the catalysis of hydrogen evolution reaction3.
1A.E. Maniadaki et al, Solid State Commun. 227, 33 (2016).
2D. Davelou et al, Phys. Rev. B, 96, 165436 (2017).
3A.E. Maniadaki, G. Kopidakis, Phys. Status Solidi RRL 10, 453 (2016).
1A.E. Maniadaki et al, Solid State Commun. 227, 33 (2016).
2D. Davelou et al, Phys. Rev. B, 96, 165436 (2017).
3A.E. Maniadaki, G. Kopidakis, Phys. Status Solidi RRL 10, 453 (2016).
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Presenters
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Daphne Davelou
Materials Science and Technology, University of Crete
Authors
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Daphne Davelou
Materials Science and Technology, University of Crete
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Christos Mathioudakis
Materials Science and Technology, University of Crete
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Ioannis N Remediakis
Department of Materials Science and Technology, University of Crete, Materials Science and Technology, University of Crete
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Georgios Kopidakis
Institute of Electronic Structure and Laser, Foundation for Research and Technology - Hellas, Materials Science and Technology, University of Crete, University of Crete