Electronic structure of carbon nanotubes with copper core
The electronic structure of copper-intercalated carbon nanotubes has been studied by quantum-chemical methods. The total and partial densities of states of nanotubes have been calculated by the linear augmented-cylindrical-wave method. The armchair (5,5) nanotubes with one, two, three, and four copp...
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| Veröffentlicht in: | Russian journal of inorganic chemistry 2013-07, Vol.58 (7), p.800-802 |
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| container_title | Russian journal of inorganic chemistry |
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| creator | Bochkov, I. A. D’yachkov, P. N. |
| description | The electronic structure of copper-intercalated carbon nanotubes has been studied by quantum-chemical methods. The total and partial densities of states of nanotubes have been calculated by the linear augmented-cylindrical-wave method. The armchair (5,5) nanotubes with one, two, three, and four copper atoms per unit cell have been calculated The introduction of the metal is accompanied by a sharp increase in the density of states at the Fermi level of the nanowire, which determines the concentration of free electrons involved in charge transfer in the nanotube. The 3
d
electrons of the metal and the carbon shell are nearly equally involved in electron transport in intercalated wires. |
| doi_str_mv | 10.1134/S0036023613070048 |
| format | Article |
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d
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d
electrons of the metal and the carbon shell are nearly equally involved in electron transport in intercalated wires.</description><subject>Carbon nanotubes</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Copper</subject><subject>Density of states</subject><subject>Electronic structure</subject><subject>Inorganic Chemistry</subject><subject>Mathematical analysis</subject><subject>Nanostructure</subject><subject>Nanotubes</subject><subject>Quantum chemistry</subject><subject>Theoretical Inorganic Chemistry</subject><issn>0036-0236</issn><issn>1531-8613</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LxDAQxYMouK5-AG89eqlmmrZJjrKsf0DwoJ5Dkp1ol25SkxTx25tlvQnO5cG83xuYR8gl0GsA1t68UMp62rAeGOWUtuKILKBjUIuyOSaLvV3v_VNyltK2EC3lYkHkekSbY_CDrVKOs81zxCq4yupogq-89iHPBlP1NeSPyoZpwlgk4jk5cXpMePGrS_J2t35dPdRPz_ePq9un2rIGcu2cFhoFldxKQctstJE9bgxvOYC2rXHNpulAY8MMcJAGOfaIkkpXMMeW5Opwd4rhc8aU1W5IFsdRewxzUtBz6HhHRVdQOKA2hpQiOjXFYafjtwKq9jWpPzWVTHPIpML6d4xqG-boy0f_hH4AOv1poQ</recordid><startdate>20130701</startdate><enddate>20130701</enddate><creator>Bochkov, I. A.</creator><creator>D’yachkov, P. N.</creator><general>Springer US</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20130701</creationdate><title>Electronic structure of carbon nanotubes with copper core</title><author>Bochkov, I. A. ; D’yachkov, P. N.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c321t-ffa8ae8097c980000dab96edb74711ac4bf2d251ae23b1719be7e6ee909f6edf3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Carbon nanotubes</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Copper</topic><topic>Density of states</topic><topic>Electronic structure</topic><topic>Inorganic Chemistry</topic><topic>Mathematical analysis</topic><topic>Nanostructure</topic><topic>Nanotubes</topic><topic>Quantum chemistry</topic><topic>Theoretical Inorganic Chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bochkov, I. A.</creatorcontrib><creatorcontrib>D’yachkov, P. N.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Russian journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bochkov, I. A.</au><au>D’yachkov, P. N.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic structure of carbon nanotubes with copper core</atitle><jtitle>Russian journal of inorganic chemistry</jtitle><stitle>Russ. J. Inorg. Chem</stitle><date>2013-07-01</date><risdate>2013</risdate><volume>58</volume><issue>7</issue><spage>800</spage><epage>802</epage><pages>800-802</pages><issn>0036-0236</issn><eissn>1531-8613</eissn><abstract>The electronic structure of copper-intercalated carbon nanotubes has been studied by quantum-chemical methods. The total and partial densities of states of nanotubes have been calculated by the linear augmented-cylindrical-wave method. The armchair (5,5) nanotubes with one, two, three, and four copper atoms per unit cell have been calculated The introduction of the metal is accompanied by a sharp increase in the density of states at the Fermi level of the nanowire, which determines the concentration of free electrons involved in charge transfer in the nanotube. The 3
d
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| subjects | Carbon nanotubes Chemistry Chemistry and Materials Science Copper Density of states Electronic structure Inorganic Chemistry Mathematical analysis Nanostructure Nanotubes Quantum chemistry Theoretical Inorganic Chemistry |
| title | Electronic structure of carbon nanotubes with copper core |
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