Ilyasov, V.V. and Holodova, O.M. and Ershov, I.V. and Pham, D.K. and Nguen, V.Ch. and Pluc, H.V. and Popova, I.G. and Zhdanova, T.P. and Prutsakova, N.V. and Mardasova, I.V. and Ashkanov, A.V. (2018) Physics of surface carbon ceramics by laser nanostructuring with 5d-metal componentry. In: 9th International Conference on Beam Technologies and Laser Application, BTLA 2018, 17 September 2018 through 19 September 2018.
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Using density functional theory, we have carried out an ab initio simulation of 5d-metal adsorption on the polar (111) titanium carbide surface terminated by Ti. We have carried out a systemic study of the local atomic reconstructions of the W/TiC x (111), and their electronic and thermodynamic properties. The bond length and the adsorption energy have been found for different reconstructions of the surface atomic structure in W/TiC x (111) systems. © Published under licence by IOP Publishing Ltd.
| Item Type: | Conference or Workshop Item (Paper) |
|---|---|
| Divisions: | Faculties > Faculty of Mechanical Engineering |
| Identification Number: | 10.1088/1742-6596/1109/1/012001 |
| Uncontrolled Keywords: | Bond length; Carbon; Density functional theory; Repair; Ab initio simulations; Adsorption energies; Laser nano-structuring; Metal adsorption; Surface atomic structure; Surface carbon; Systemic study; Laser applications |
| Additional Information: | Conference code: 142764. Language of original document: English. All Open Access, Bronze. |
| URI: | http://eprints.lqdtu.edu.vn/id/eprint/9501 |
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