Article
Surface structure of cubic aluminum oxide
Author/s | Álvarez, Luis Javier
León, Luis Eduardo Fernández Sanz, Javier Capitán, María José Odriozola Gordón, José Antonio |
Department | Universidad de Sevilla. Departamento de Química Física |
Publication Date | 1994 |
Deposit Date | 2017-04-28 |
Published in |
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Abstract | Molecular-dynamics simulations using a Pauling type pairwise potential have been carried out in order to study the structure of the surface of γ-Al2O3. Starting from an ideal (100) face, a reconstruction process occurs in ... Molecular-dynamics simulations using a Pauling type pairwise potential have been carried out in order to study the structure of the surface of γ-Al2O3. Starting from an ideal (100) face, a reconstruction process occurs in which the unbalanced coordination of surface ions tends to fulfill their coordination capabilities. Oxygen ions come to the surface and pore formation with a concomitant increase of apparent volume takes place. The structure of the surface of the resulting material corresponds to a porous amorphouslike phase in which only short-range order is present. Analysis of the radial distribution function agrees with experimental x-ray-diffraction data |
Funding agencies | Comisión Interministerial de Ciencia y Tecnología (CICYT). España Junta de Andalucía |
Project ID. | PB92-0665
PB92-0662 AGCI-6006 AGCI-1039 |
Citation | Álvarez, L.J., León, L.E., Fernández Sanz, J., Capitán, M.J. y Odriozola, J.A. (1994). Surface structure of cubic aluminum oxide. Physical Review B-Condensed Matter, 50 (4), 2561-2565. |
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