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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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Allan, Neil L.
University of Bristol
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (6/6 displayed)
- 2019Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surfacecitations
- 2017Piezoelectric effects in boron nitride nanotubes predicted by the atomistic finite element method and molecular mechanicscitations
- 2015Light Metals on Oxygen-Terminated Diamond (100)citations
- 2013Simulation studies of the phase stability of the Sr n+1 Ti n O 3n+1 Ruddlesden-Popper phasescitations
- 2013Simulation studies of the phase stability of the Srn+1Ti nO3n+1 Ruddlesden-Popper phasescitations
- 2010Simulations of CVD diamond film growth using a simplified Monte Carlo model
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article
Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface
Abstract
Recent computational work has shown that light metals adsorbed onto the oxygenated diamond (100) surface have the potential to give diamond a temperature-stable negative electron affinity (NEA). Here, we use density functional theory to study three of these metals, lithium, magnesium and aluminium, on the (111) surface. We show that all three of these metals adsorbed onto the ketone O-terminated diamond surface can possess a large NEA and adsorption energies above that of H-termination at monolayer (ML) or sub-ML coverages. Adsorption onto the ether O-terminated surface gives similarly large NEAs but lower adsorption energies. These results are promising for the development of novel NEA surfaces such as those required for thermionic devices.