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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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Righi, Maria Clelia
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (5/5 displayed)
- 2024Solid lubrication performance of hybrid Ti3C2Tx/MoS2 coatingscitations
- 2024Friction control by load-induced structure modification of overbased detergent in fully formulated lubricantcitations
- 2024Synergistic effects of nitrogen-containing functionalized copolymer and silicon-doped DLC for friction and wear reductioncitations
- 2020Superlubricity in phosphorene identified by means of ab initio calculationscitations
- 2016A comparative study on the functionality of S- and P-based lubricant additives by combined first principles and experimental analysiscitations
Places of action
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article
Superlubricity in phosphorene identified by means of ab initio calculations
Abstract
<jats:title>Abstract</jats:title><jats:p>Phosphorene possesses a great potential for tribological applications due to its layered structure and for the capability of phosphorus to reduce friction and adhesion in steel–steel contacts. Here we present a comprehensive analysis of the static tribological properties of phosphorene based on first principles calculations. The most suitable exchange-correlation functional for describing the structural and electronic properties of multilayer phosphorene is carefully selected. The interlayer binding energy and shear strength are then calculated for two relative orientations of the layers. Layers stacked with the same orientation (armchair–armchair and zigzag–zigzag) are slippery as common solid lubricants, as MoS<jats:sub>2</jats:sub> and graphite. While the armchair–zigzag orientation shows a remarkable superlubricity, with a reduction of one order of magnitude for the shear stress. We uncover the microscopic origin of such superlubric phase by analyzing the electronic charge at the layer interface.</jats:p>