Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations
By application of empirical method it is found that graphene nanoflake (graphane) saturated by hydrogen is not elastic material. In this case, the modulus of the elastic compression of graphane depends on its size, allowing us to identify the linear parameters of graphane with maximum Young’s modulu...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2015-01-01
|
| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2015/735192 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849413197675626496 |
|---|---|
| author | A. S. Kolesnikova M. M. Slepchenkov M. F. Lin O. E. Glukhova |
| author_facet | A. S. Kolesnikova M. M. Slepchenkov M. F. Lin O. E. Glukhova |
| author_sort | A. S. Kolesnikova |
| collection | DOAJ |
| description | By application of empirical method it is found that graphene nanoflake (graphane) saturated by hydrogen is not elastic material. In this case, the modulus of the elastic compression of graphane depends on its size, allowing us to identify the linear parameters of graphane with maximum Young’s modulus for this material. The electronic structure of graphane nanoflakes was calculated by means of the semiempirical tight-binding method. It is found that graphane nanoflakes can be characterized as dielectric. The energy gap of these particles decreases with increasing of the length tending to a certain value. At the same time, the ionization potential of graphane also decreases. A comparative analysis of the calculated values with the same parameters of single-walled nanotubes is performed. |
| format | Article |
| id | doaj-art-74eedc2f5503408b9aecf45b490b2a34 |
| institution | Kabale University |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-74eedc2f5503408b9aecf45b490b2a342025-08-20T03:34:12ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242015-01-01201510.1155/2015/735192735192Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical InvestigationsA. S. Kolesnikova0M. M. Slepchenkov1M. F. Lin2O. E. Glukhova3Department of Physics, Saratov State University, Saratov 410012, RussiaDepartment of Physics, Saratov State University, Saratov 410012, RussiaDepartment of Physics, National Cheng Kung University, Tainan 701, TaiwanDepartment of Physics, Saratov State University, Saratov 410012, RussiaBy application of empirical method it is found that graphene nanoflake (graphane) saturated by hydrogen is not elastic material. In this case, the modulus of the elastic compression of graphane depends on its size, allowing us to identify the linear parameters of graphane with maximum Young’s modulus for this material. The electronic structure of graphane nanoflakes was calculated by means of the semiempirical tight-binding method. It is found that graphane nanoflakes can be characterized as dielectric. The energy gap of these particles decreases with increasing of the length tending to a certain value. At the same time, the ionization potential of graphane also decreases. A comparative analysis of the calculated values with the same parameters of single-walled nanotubes is performed.http://dx.doi.org/10.1155/2015/735192 |
| spellingShingle | A. S. Kolesnikova M. M. Slepchenkov M. F. Lin O. E. Glukhova Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations Advances in Condensed Matter Physics |
| title | Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations |
| title_full | Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations |
| title_fullStr | Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations |
| title_full_unstemmed | Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations |
| title_short | Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations |
| title_sort | influence of size effect on the electronic and elastic properties of graphane nanoflakes quantum chemical and empirical investigations |
| url | http://dx.doi.org/10.1155/2015/735192 |
| work_keys_str_mv | AT askolesnikova influenceofsizeeffectontheelectronicandelasticpropertiesofgraphanenanoflakesquantumchemicalandempiricalinvestigations AT mmslepchenkov influenceofsizeeffectontheelectronicandelasticpropertiesofgraphanenanoflakesquantumchemicalandempiricalinvestigations AT mflin influenceofsizeeffectontheelectronicandelasticpropertiesofgraphanenanoflakesquantumchemicalandempiricalinvestigations AT oeglukhova influenceofsizeeffectontheelectronicandelasticpropertiesofgraphanenanoflakesquantumchemicalandempiricalinvestigations |