First-principles Prediction of Enhancing Graphene-Al Interface Bonding by Si-Doping
The graphene-Al interface was a physical bond with low strength, which could not realize the load transfer performance of graphene. When there were vacancies defects on the surface of graphene, the graphene easily interacted with the Al matrix to form the brittle phase Al 4 C 3 , which was also hope...
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| Veröffentlicht in: | Applied composite materials 2021-12, Vol.28 (6), p.1845-1860 |
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| container_issue | 6 |
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| container_title | Applied composite materials |
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| creator | Mei, Yong Ju, Boyu Yang, Wenshu Xiu, Ziyang Zhao, Boyang Wu, Gaohui |
| description | The graphene-Al interface was a physical bond with low strength, which could not realize the load transfer performance of graphene. When there were vacancies defects on the surface of graphene, the graphene easily interacted with the Al matrix to form the brittle phase Al
4
C
3
, which was also hoped to be avoided in the preparation of composites. In order to improve the strength of the graphene-Al interface while avoiding the interfacial reaction, this paper studied the physical properties of the Si-doped graphene-Al interface. The Si-doped graphene-Al interface had a higher bonding strength. When the doping content was 6%, the adhesion energy was increased by about 5 times compared with the graphene-Al interface. At the same time, when Si atoms were doped into the vacancies of graphene, the bonding mode of the interface changed from C-Al bonds to Si-Al bonds. This prevented the C atoms around the vacancies from easily reacting with the Al matrix. This research could provide an effective method to modify the graphene-Al interface to improve the mechanical properties of graphene/Al composites. |
| doi_str_mv | 10.1007/s10443-021-09929-4 |
| format | Article |
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4
C
3
, which was also hoped to be avoided in the preparation of composites. In order to improve the strength of the graphene-Al interface while avoiding the interfacial reaction, this paper studied the physical properties of the Si-doped graphene-Al interface. The Si-doped graphene-Al interface had a higher bonding strength. When the doping content was 6%, the adhesion energy was increased by about 5 times compared with the graphene-Al interface. At the same time, when Si atoms were doped into the vacancies of graphene, the bonding mode of the interface changed from C-Al bonds to Si-Al bonds. This prevented the C atoms around the vacancies from easily reacting with the Al matrix. This research could provide an effective method to modify the graphene-Al interface to improve the mechanical properties of graphene/Al composites.</description><identifier>ISSN: 0929-189X</identifier><identifier>EISSN: 1573-4897</identifier><identifier>DOI: 10.1007/s10443-021-09929-4</identifier><language>eng</language><publisher>Dordrecht: Springer Netherlands</publisher><subject>Aluminum carbide ; Bonding strength ; Characterization and Evaluation of Materials ; Chemistry and Materials Science ; Classical Mechanics ; Composite materials ; Doping ; First principles ; Graphene ; Industrial Chemistry/Chemical Engineering ; Interface reactions ; Load transfer ; Materials Science ; Mechanical properties ; Physical properties ; Polymer Sciences ; Silicon ; Vacancies</subject><ispartof>Applied composite materials, 2021-12, Vol.28 (6), p.1845-1860</ispartof><rights>The Author(s), under exclusive licence to Springer Nature B.V. 2021</rights><rights>The Author(s), under exclusive licence to Springer Nature B.V. 2021.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c319t-4a519e44803a55e3558cc5cd80464578c1cdc3aef00bcdea61eac04f27ad5523</citedby><cites>FETCH-LOGICAL-c319t-4a519e44803a55e3558cc5cd80464578c1cdc3aef00bcdea61eac04f27ad5523</cites><orcidid>0000-0003-1995-3840</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10443-021-09929-4$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10443-021-09929-4$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,777,781,27905,27906,41469,42538,51300</link.rule.ids></links><search><creatorcontrib>Mei, Yong</creatorcontrib><creatorcontrib>Ju, Boyu</creatorcontrib><creatorcontrib>Yang, Wenshu</creatorcontrib><creatorcontrib>Xiu, Ziyang</creatorcontrib><creatorcontrib>Zhao, Boyang</creatorcontrib><creatorcontrib>Wu, Gaohui</creatorcontrib><title>First-principles Prediction of Enhancing Graphene-Al Interface Bonding by Si-Doping</title><title>Applied composite materials</title><addtitle>Appl Compos Mater</addtitle><description>The graphene-Al interface was a physical bond with low strength, which could not realize the load transfer performance of graphene. When there were vacancies defects on the surface of graphene, the graphene easily interacted with the Al matrix to form the brittle phase Al
4
C
3
, which was also hoped to be avoided in the preparation of composites. In order to improve the strength of the graphene-Al interface while avoiding the interfacial reaction, this paper studied the physical properties of the Si-doped graphene-Al interface. The Si-doped graphene-Al interface had a higher bonding strength. When the doping content was 6%, the adhesion energy was increased by about 5 times compared with the graphene-Al interface. At the same time, when Si atoms were doped into the vacancies of graphene, the bonding mode of the interface changed from C-Al bonds to Si-Al bonds. This prevented the C atoms around the vacancies from easily reacting with the Al matrix. This research could provide an effective method to modify the graphene-Al interface to improve the mechanical properties of graphene/Al composites.</description><subject>Aluminum carbide</subject><subject>Bonding strength</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry and Materials Science</subject><subject>Classical Mechanics</subject><subject>Composite materials</subject><subject>Doping</subject><subject>First principles</subject><subject>Graphene</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Interface reactions</subject><subject>Load transfer</subject><subject>Materials Science</subject><subject>Mechanical properties</subject><subject>Physical properties</subject><subject>Polymer Sciences</subject><subject>Silicon</subject><subject>Vacancies</subject><issn>0929-189X</issn><issn>1573-4897</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>AFKRA</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><recordid>eNp9kDFPwzAQhS0EEqXwB5giMRvOsR3bYyltqVQJpHZgs1zHaVMVO9jp0H9PQpDYmE5377073YfQPYFHAiCeEgHGKIacYFAqV5hdoBHhgmImlbhEI-iHRKqPa3ST0gEApCjECK3ndUwtbmLtbd0cXcreoytr29bBZ6HKZn5vOsXvskU0zd55hyfHbOlbFytjXfYcfNmr23O2rvFLaLrmFl1V5pjc3W8do818tpm-4tXbYjmdrLClRLWYGU6UY0wCNZw7yrm0lttSAisYF9ISW1pqXAWwtaUzBXHGAqtyYUrOczpGD8PaJoavk0utPoRT9N1FnReEFpIIBZ0rH1w2hpSiq3T366eJZ01A9-z0wE537PQPO826EB1CqQezc_Fv9T-pbwmzcbE</recordid><startdate>20211201</startdate><enddate>20211201</enddate><creator>Mei, Yong</creator><creator>Ju, Boyu</creator><creator>Yang, Wenshu</creator><creator>Xiu, Ziyang</creator><creator>Zhao, Boyang</creator><creator>Wu, Gaohui</creator><general>Springer Netherlands</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>JG9</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>S0W</scope><orcidid>https://orcid.org/0000-0003-1995-3840</orcidid></search><sort><creationdate>20211201</creationdate><title>First-principles Prediction of Enhancing Graphene-Al Interface Bonding by Si-Doping</title><author>Mei, Yong ; Ju, Boyu ; Yang, Wenshu ; Xiu, Ziyang ; Zhao, Boyang ; Wu, Gaohui</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-4a519e44803a55e3558cc5cd80464578c1cdc3aef00bcdea61eac04f27ad5523</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Aluminum carbide</topic><topic>Bonding strength</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry and Materials Science</topic><topic>Classical Mechanics</topic><topic>Composite materials</topic><topic>Doping</topic><topic>First principles</topic><topic>Graphene</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Interface reactions</topic><topic>Load transfer</topic><topic>Materials Science</topic><topic>Mechanical properties</topic><topic>Physical properties</topic><topic>Polymer Sciences</topic><topic>Silicon</topic><topic>Vacancies</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Mei, Yong</creatorcontrib><creatorcontrib>Ju, Boyu</creatorcontrib><creatorcontrib>Yang, Wenshu</creatorcontrib><creatorcontrib>Xiu, Ziyang</creatorcontrib><creatorcontrib>Zhao, Boyang</creatorcontrib><creatorcontrib>Wu, Gaohui</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>Materials Research Database</collection><collection>Materials Science Database</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>DELNET Engineering & Technology Collection</collection><jtitle>Applied composite materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Mei, Yong</au><au>Ju, Boyu</au><au>Yang, Wenshu</au><au>Xiu, Ziyang</au><au>Zhao, Boyang</au><au>Wu, Gaohui</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>First-principles Prediction of Enhancing Graphene-Al Interface Bonding by Si-Doping</atitle><jtitle>Applied composite materials</jtitle><stitle>Appl Compos Mater</stitle><date>2021-12-01</date><risdate>2021</risdate><volume>28</volume><issue>6</issue><spage>1845</spage><epage>1860</epage><pages>1845-1860</pages><issn>0929-189X</issn><eissn>1573-4897</eissn><abstract>The graphene-Al interface was a physical bond with low strength, which could not realize the load transfer performance of graphene. When there were vacancies defects on the surface of graphene, the graphene easily interacted with the Al matrix to form the brittle phase Al
4
C
3
, which was also hoped to be avoided in the preparation of composites. In order to improve the strength of the graphene-Al interface while avoiding the interfacial reaction, this paper studied the physical properties of the Si-doped graphene-Al interface. The Si-doped graphene-Al interface had a higher bonding strength. When the doping content was 6%, the adhesion energy was increased by about 5 times compared with the graphene-Al interface. At the same time, when Si atoms were doped into the vacancies of graphene, the bonding mode of the interface changed from C-Al bonds to Si-Al bonds. This prevented the C atoms around the vacancies from easily reacting with the Al matrix. This research could provide an effective method to modify the graphene-Al interface to improve the mechanical properties of graphene/Al composites.</abstract><cop>Dordrecht</cop><pub>Springer Netherlands</pub><doi>10.1007/s10443-021-09929-4</doi><tpages>16</tpages><orcidid>https://orcid.org/0000-0003-1995-3840</orcidid></addata></record> |
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| subjects | Aluminum carbide Bonding strength Characterization and Evaluation of Materials Chemistry and Materials Science Classical Mechanics Composite materials Doping First principles Graphene Industrial Chemistry/Chemical Engineering Interface reactions Load transfer Materials Science Mechanical properties Physical properties Polymer Sciences Silicon Vacancies |
| title | First-principles Prediction of Enhancing Graphene-Al Interface Bonding by Si-Doping |
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