Density functional studies of small silicon clusters adsorbed on graphene
The structural and electronic properties of small Si n clusters ( n = 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Si n clusters and graphene are weakly affected by...
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| Veröffentlicht in: | RSC advances 2015-01, Vol.5 (48), p.3868-38689 |
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| container_issue | 48 |
| container_start_page | 3868 |
| container_title | RSC advances |
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| creator | Yong, Yongliang Hao, Xiping Li, Chao Li, Xiaohong Li, Tongwei Cui, Hongling Lv, Shijie |
| description | The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Si
n
clusters and graphene are weakly affected by their interaction. The adsorption energy difference of different adsorption sites for the same size Si cluster on graphene is very small, indicating the Si
n
-cluster-graphene system will be obtained easily. There is a little charge transfer from Si
n
clusters to graphene when the cluster size is larger. The adsorption of Si
n
clusters will be an effective method to open of an energy gap for graphene, which is useful for the applications of graphene to electrical and optical devices. Especially, the adsorption of Si
n
cluster with large size (
n
≥ 5) would have a band gap with a constant energy value.
The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. |
| doi_str_mv | 10.1039/c5ra02081f |
| format | Article |
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n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Si
n
clusters and graphene are weakly affected by their interaction. The adsorption energy difference of different adsorption sites for the same size Si cluster on graphene is very small, indicating the Si
n
-cluster-graphene system will be obtained easily. There is a little charge transfer from Si
n
clusters to graphene when the cluster size is larger. The adsorption of Si
n
clusters will be an effective method to open of an energy gap for graphene, which is useful for the applications of graphene to electrical and optical devices. Especially, the adsorption of Si
n
cluster with large size (
n
≥ 5) would have a band gap with a constant energy value.
The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions.</description><identifier>ISSN: 2046-2069</identifier><identifier>EISSN: 2046-2069</identifier><identifier>DOI: 10.1039/c5ra02081f</identifier><language>eng</language><subject>Adsorption ; Clusters ; Constants ; Density ; Deposition ; Energy gap ; Graphene ; Silicon</subject><ispartof>RSC advances, 2015-01, Vol.5 (48), p.3868-38689</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c312t-283941e79ea6e6c26e4ab043cbe68c2376f8402c4f5dafba2368cda1eebceaf83</citedby><cites>FETCH-LOGICAL-c312t-283941e79ea6e6c26e4ab043cbe68c2376f8402c4f5dafba2368cda1eebceaf83</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,27926,27927</link.rule.ids></links><search><creatorcontrib>Yong, Yongliang</creatorcontrib><creatorcontrib>Hao, Xiping</creatorcontrib><creatorcontrib>Li, Chao</creatorcontrib><creatorcontrib>Li, Xiaohong</creatorcontrib><creatorcontrib>Li, Tongwei</creatorcontrib><creatorcontrib>Cui, Hongling</creatorcontrib><creatorcontrib>Lv, Shijie</creatorcontrib><title>Density functional studies of small silicon clusters adsorbed on graphene</title><title>RSC advances</title><description>The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Si
n
clusters and graphene are weakly affected by their interaction. The adsorption energy difference of different adsorption sites for the same size Si cluster on graphene is very small, indicating the Si
n
-cluster-graphene system will be obtained easily. There is a little charge transfer from Si
n
clusters to graphene when the cluster size is larger. The adsorption of Si
n
clusters will be an effective method to open of an energy gap for graphene, which is useful for the applications of graphene to electrical and optical devices. Especially, the adsorption of Si
n
cluster with large size (
n
≥ 5) would have a band gap with a constant energy value.
The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions.</description><subject>Adsorption</subject><subject>Clusters</subject><subject>Constants</subject><subject>Density</subject><subject>Deposition</subject><subject>Energy gap</subject><subject>Graphene</subject><subject>Silicon</subject><issn>2046-2069</issn><issn>2046-2069</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNp90E1LxDAQBuAgCi7rXrwL8SZCNV9N2-OyurqwIIieS5pONNJta6Y97L83WlFPzmWGl4c5vISccnbFmSyubRoMEyzn7oDMBFM6EUwXh3_uY7JAfGNxdMqF5jOyuYEW_bCnbmzt4LvWNBSHsfaAtHMUd6aJgW-87VpqmxEHCEhNjV2ooKYxfAmmf4UWTsiRMw3C4nvPyfP69ml1n2wf7jar5TaxkoshEbksFIesAKNBW6FBmYopaSvQuRUy0y5XTFjl0tq4yggZ49pwgMqCcbmck4vpbx-69xFwKHceLTSNaaEbseS6EFJlUmeRXk7Uhg4xgCv74Hcm7EvOys_KylX6uPyqbB3x-YQD2h_3W2nZ1y6as_-M_AA8VnTO</recordid><startdate>20150101</startdate><enddate>20150101</enddate><creator>Yong, Yongliang</creator><creator>Hao, Xiping</creator><creator>Li, Chao</creator><creator>Li, Xiaohong</creator><creator>Li, Tongwei</creator><creator>Cui, Hongling</creator><creator>Lv, Shijie</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20150101</creationdate><title>Density functional studies of small silicon clusters adsorbed on graphene</title><author>Yong, Yongliang ; Hao, Xiping ; Li, Chao ; Li, Xiaohong ; Li, Tongwei ; Cui, Hongling ; Lv, Shijie</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c312t-283941e79ea6e6c26e4ab043cbe68c2376f8402c4f5dafba2368cda1eebceaf83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Adsorption</topic><topic>Clusters</topic><topic>Constants</topic><topic>Density</topic><topic>Deposition</topic><topic>Energy gap</topic><topic>Graphene</topic><topic>Silicon</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yong, Yongliang</creatorcontrib><creatorcontrib>Hao, Xiping</creatorcontrib><creatorcontrib>Li, Chao</creatorcontrib><creatorcontrib>Li, Xiaohong</creatorcontrib><creatorcontrib>Li, Tongwei</creatorcontrib><creatorcontrib>Cui, Hongling</creatorcontrib><creatorcontrib>Lv, Shijie</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>RSC advances</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yong, Yongliang</au><au>Hao, Xiping</au><au>Li, Chao</au><au>Li, Xiaohong</au><au>Li, Tongwei</au><au>Cui, Hongling</au><au>Lv, Shijie</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Density functional studies of small silicon clusters adsorbed on graphene</atitle><jtitle>RSC advances</jtitle><date>2015-01-01</date><risdate>2015</risdate><volume>5</volume><issue>48</issue><spage>3868</spage><epage>38689</epage><pages>3868-38689</pages><issn>2046-2069</issn><eissn>2046-2069</eissn><abstract>The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Si
n
clusters and graphene are weakly affected by their interaction. The adsorption energy difference of different adsorption sites for the same size Si cluster on graphene is very small, indicating the Si
n
-cluster-graphene system will be obtained easily. There is a little charge transfer from Si
n
clusters to graphene when the cluster size is larger. The adsorption of Si
n
clusters will be an effective method to open of an energy gap for graphene, which is useful for the applications of graphene to electrical and optical devices. Especially, the adsorption of Si
n
cluster with large size (
n
≥ 5) would have a band gap with a constant energy value.
The structural and electronic properties of small Si
n
clusters (
n
= 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions.</abstract><doi>10.1039/c5ra02081f</doi><tpages>1</tpages></addata></record> |
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| identifier | ISSN: 2046-2069 |
| ispartof | RSC advances, 2015-01, Vol.5 (48), p.3868-38689 |
| issn | 2046-2069 2046-2069 |
| language | eng |
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| source | Royal Society Of Chemistry Journals 2008- |
| subjects | Adsorption Clusters Constants Density Deposition Energy gap Graphene Silicon |
| title | Density functional studies of small silicon clusters adsorbed on graphene |
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