The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters
Decorating two-dimensional materials can enhance their electrical and transport properties. Herein, the effect of the copper cluster on the electrical and the transport properties of the monolayer zirconium diselenide (ZrSe 2 ) nano-sheet is investigated using density functional theory joined with n...
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| Veröffentlicht in: | Applied physics. A, Materials science & processing Materials science & processing, 2022-07, Vol.128 (7), Article 586 |
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| creator | Karimi Khorrami, Soroush Berahman, M. Sadeghi, Mojtaba |
| description | Decorating two-dimensional materials can enhance their electrical and transport properties. Herein, the effect of the copper cluster on the electrical and the transport properties of the monolayer zirconium diselenide (ZrSe
2
) nano-sheet is investigated using density functional theory joined with non-equilibrium green function. The results show that the copper cluster can turn the ZrSe
2
monolayer into an n-type semiconductor with a reduction of band gap from 0.59 eV in the pristine one to 0.15 eV. Based on the size of the cluster, the current–voltage characteristic altered drastically. It shows that decorated ZrSe
2
exhibits negative differential resistance in its current–voltage characteristic and the lack of continuity in the density of states inside the channel is the main reason for such an effect.
Graphical abstract |
| doi_str_mv | 10.1007/s00339-022-05722-7 |
| format | Article |
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2
) nano-sheet is investigated using density functional theory joined with non-equilibrium green function. The results show that the copper cluster can turn the ZrSe
2
monolayer into an n-type semiconductor with a reduction of band gap from 0.59 eV in the pristine one to 0.15 eV. Based on the size of the cluster, the current–voltage characteristic altered drastically. It shows that decorated ZrSe
2
exhibits negative differential resistance in its current–voltage characteristic and the lack of continuity in the density of states inside the channel is the main reason for such an effect.
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2
) nano-sheet is investigated using density functional theory joined with non-equilibrium green function. The results show that the copper cluster can turn the ZrSe
2
monolayer into an n-type semiconductor with a reduction of band gap from 0.59 eV in the pristine one to 0.15 eV. Based on the size of the cluster, the current–voltage characteristic altered drastically. It shows that decorated ZrSe
2
exhibits negative differential resistance in its current–voltage characteristic and the lack of continuity in the density of states inside the channel is the main reason for such an effect.
Graphical abstract</description><subject>Applied physics</subject><subject>Characterization and Evaluation of Materials</subject><subject>Clusters</subject><subject>Condensed Matter Physics</subject><subject>Copper</subject><subject>Current voltage characteristics</subject><subject>Decoration</subject><subject>Density functional theory</subject><subject>Green's functions</subject><subject>Machines</subject><subject>Manufacturing</subject><subject>Materials science</subject><subject>Monolayers</subject><subject>N-type semiconductors</subject><subject>Nanotechnology</subject><subject>Optical and Electronic Materials</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Processes</subject><subject>Surfaces and Interfaces</subject><subject>Thin Films</subject><subject>Transport properties</subject><subject>Two dimensional materials</subject><subject>Zirconium</subject><issn>0947-8396</issn><issn>1432-0630</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LxDAQxYMouK5-AU8Bz9VkkjbNURb_wYIH14uXkE2nbpduU5Msst_eaAVvzmGGgfd7MzxCLjm75oypm8iYELpgAAUrVe7qiMy4FHmtBDsmM6alKmqhq1NyFuOW5ZIAM9KsNkixR5dC52xP7dDQFOwQRx8SHYMfMaQOI_UtbdD5YBM29C28INCdH3xvDxjoYAdfxA1iop9d2lDnx8xR1-9jwhDPyUlr-4gXv3NOXu_vVovHYvn88LS4XRYOFEsFrEGCKmFdg7a8bpxdOy44ApQalHPW1eBAai01VrKVqq4Uq3kFNXeMaynm5GryzX9_7DEms_X7MOSTBipVMyWgrLIKJpULPsaArRlDt7PhYDgz32maKU2T0zQ_aRqVITFBMYuHdwx_1v9QX4wgd4E</recordid><startdate>20220701</startdate><enddate>20220701</enddate><creator>Karimi Khorrami, Soroush</creator><creator>Berahman, M.</creator><creator>Sadeghi, Mojtaba</creator><general>Springer Berlin Heidelberg</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0001-5022-676X</orcidid></search><sort><creationdate>20220701</creationdate><title>The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters</title><author>Karimi Khorrami, Soroush ; Berahman, M. ; Sadeghi, Mojtaba</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c270t-2b242752b829a18dcabc131e225927ccac82c249949e64f478670816281c01943</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Applied physics</topic><topic>Characterization and Evaluation of Materials</topic><topic>Clusters</topic><topic>Condensed Matter Physics</topic><topic>Copper</topic><topic>Current voltage characteristics</topic><topic>Decoration</topic><topic>Density functional theory</topic><topic>Green's functions</topic><topic>Machines</topic><topic>Manufacturing</topic><topic>Materials science</topic><topic>Monolayers</topic><topic>N-type semiconductors</topic><topic>Nanotechnology</topic><topic>Optical and Electronic Materials</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Processes</topic><topic>Surfaces and Interfaces</topic><topic>Thin Films</topic><topic>Transport properties</topic><topic>Two dimensional materials</topic><topic>Zirconium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Karimi Khorrami, Soroush</creatorcontrib><creatorcontrib>Berahman, M.</creatorcontrib><creatorcontrib>Sadeghi, Mojtaba</creatorcontrib><collection>CrossRef</collection><jtitle>Applied physics. A, Materials science & processing</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Karimi Khorrami, Soroush</au><au>Berahman, M.</au><au>Sadeghi, Mojtaba</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters</atitle><jtitle>Applied physics. A, Materials science & processing</jtitle><stitle>Appl. Phys. A</stitle><date>2022-07-01</date><risdate>2022</risdate><volume>128</volume><issue>7</issue><artnum>586</artnum><issn>0947-8396</issn><eissn>1432-0630</eissn><abstract>Decorating two-dimensional materials can enhance their electrical and transport properties. Herein, the effect of the copper cluster on the electrical and the transport properties of the monolayer zirconium diselenide (ZrSe
2
) nano-sheet is investigated using density functional theory joined with non-equilibrium green function. The results show that the copper cluster can turn the ZrSe
2
monolayer into an n-type semiconductor with a reduction of band gap from 0.59 eV in the pristine one to 0.15 eV. Based on the size of the cluster, the current–voltage characteristic altered drastically. It shows that decorated ZrSe
2
exhibits negative differential resistance in its current–voltage characteristic and the lack of continuity in the density of states inside the channel is the main reason for such an effect.
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| ispartof | Applied physics. A, Materials science & processing, 2022-07, Vol.128 (7), Article 586 |
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| source | Springer Nature - Complete Springer Journals |
| subjects | Applied physics Characterization and Evaluation of Materials Clusters Condensed Matter Physics Copper Current voltage characteristics Decoration Density functional theory Green's functions Machines Manufacturing Materials science Monolayers N-type semiconductors Nanotechnology Optical and Electronic Materials Physics Physics and Astronomy Processes Surfaces and Interfaces Thin Films Transport properties Two dimensional materials Zirconium |
| title | The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters |
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