Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters
Semiconductor nanowires are one class of building blocks that show promise for application in nanoscale electronics. Metal-semiconductor nanowire helps to improve the electrical properties or create unique ones. Electronic and structural properties of cadmium selenide/telluride connected to gold ele...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2015-01-01
|
| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2015/847693 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832545998390427648 |
|---|---|
| author | Shimeles T. Bulbula Hagos W. Zeweldi |
| author_facet | Shimeles T. Bulbula Hagos W. Zeweldi |
| author_sort | Shimeles T. Bulbula |
| collection | DOAJ |
| description | Semiconductor nanowires are one class of building blocks that show promise for application
in nanoscale electronics. Metal-semiconductor nanowire helps to improve the electrical properties or
create unique ones. Electronic and structural properties of cadmium selenide/telluride connected to gold
electrode clusters have been the focus of this research due to their importance in constructing fast
microelectric devices. The simulations were carried out by using VASP (Vienna Ab-Initio Simulation
Package) which utilizes the method of density functional theory (DFT) and plane wave basis set. Optimization was performed to obtain the minimum energy structure. In this research paper the result
shows that the HOMO-LUMO gaps for the minimum energy cadmium selenide/telluride connected to
gold electrodes decrease as cluster size increases, whereas the binding energy shows a reverse relationship with the cluster size. However, a few clusters show special properties like AuCd2Se3 and AuCd2Te3 clusters. |
| format | Article |
| id | doaj-art-858bcd13909c4c599b7ab000c8a9d93f |
| institution | Kabale University |
| issn | 1687-8434 1687-8442 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Materials Science and Engineering |
| spelling | doaj-art-858bcd13909c4c599b7ab000c8a9d93f2025-02-03T07:24:12ZengWileyAdvances in Materials Science and Engineering1687-84341687-84422015-01-01201510.1155/2015/847693847693Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride NanoclustersShimeles T. Bulbula0Hagos W. Zeweldi1School of Material Science and Engineering, Wuhan University of Technology, No. 205 Luoshi Road, Wuhan, Hubei 430070, ChinaDepartment of Physics, Mekelle University, Mekelle, EthiopiaSemiconductor nanowires are one class of building blocks that show promise for application in nanoscale electronics. Metal-semiconductor nanowire helps to improve the electrical properties or create unique ones. Electronic and structural properties of cadmium selenide/telluride connected to gold electrode clusters have been the focus of this research due to their importance in constructing fast microelectric devices. The simulations were carried out by using VASP (Vienna Ab-Initio Simulation Package) which utilizes the method of density functional theory (DFT) and plane wave basis set. Optimization was performed to obtain the minimum energy structure. In this research paper the result shows that the HOMO-LUMO gaps for the minimum energy cadmium selenide/telluride connected to gold electrodes decrease as cluster size increases, whereas the binding energy shows a reverse relationship with the cluster size. However, a few clusters show special properties like AuCd2Se3 and AuCd2Te3 clusters.http://dx.doi.org/10.1155/2015/847693 |
| spellingShingle | Shimeles T. Bulbula Hagos W. Zeweldi Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters Advances in Materials Science and Engineering |
| title | Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters |
| title_full | Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters |
| title_fullStr | Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters |
| title_full_unstemmed | Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters |
| title_short | Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters |
| title_sort | density functional study of electronic and structural properties of gold cadmium selenide telluride nanoclusters |
| url | http://dx.doi.org/10.1155/2015/847693 |
| work_keys_str_mv | AT shimelestbulbula densityfunctionalstudyofelectronicandstructuralpropertiesofgoldcadmiumselenidetelluridenanoclusters AT hagoswzeweldi densityfunctionalstudyofelectronicandstructuralpropertiesofgoldcadmiumselenidetelluridenanoclusters |