Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
| Autor: | Eduardo M. Bringa, E. E. Hernández-Vázquez, José Rogan, Felipe J. Valencia, Francisco Muñoz, J. L. Moran-Lopez, Rafael I. González |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
GRAPHENE
Materials science Soft landing Diffusion Ciencias Físicas NICKEL General Physics and Astronomy 02 engineering and technology 01 natural sciences Nanoclusters law.invention Metal Molecular dynamics law 0103 physical sciences Phenomenological model Physics::Atomic and Molecular Clusters Cluster (physics) Physical and Theoretical Chemistry 010306 general physics Graphene VACANCIES 021001 nanoscience & nanotechnology Chemical physics visual_art visual_art.visual_art_medium 0210 nano-technology CIENCIAS NATURALES Y EXACTAS Física de los Materiales Condensados |
| Popis: | We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters. Fil: Valencia Grajales, Jose Fernando. Centro para el Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile. Universidad Mayor; Chile Fil: Hernandez-Vazquez, E. E.. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo; Argentina Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Instituto Potosino de Investigación Científica y Tecnológica; México Fil: Moran Lopez, J. L.. Universidad Nacional de Cuyo; Argentina Fil: Rogan, J.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile Fil: Gonzalez, Rosario Itati. Universidad Mayor; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile Fil: Munoz, F.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile |
| Databáze: | OpenAIRE |
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