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Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material
Using density functional theory, the phase stability and physical properties, including structural, electronic, mechanical, thermal and vibrational with defect processes, of a newly synthesized 211 MAX phase V SnC are investigated for the first time. The obtained results are compared with those foun...
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| Published in: | RSC advances 2020-12, Vol.10 (71), p.43783-43798 |
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| Main Authors: | , , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c991-90b5a5b712fd6f59b3334c837c77320eb7e90fb521bacd4c67bf8e21429f35893 |
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| cites | cdi_FETCH-LOGICAL-c991-90b5a5b712fd6f59b3334c837c77320eb7e90fb521bacd4c67bf8e21429f35893 |
| container_end_page | 43798 |
| container_issue | 71 |
| container_start_page | 43783 |
| container_title | RSC advances |
| container_volume | 10 |
| creator | Hadi, M A Dahlqvist, M Christopoulos, S-R G Naqib, S H Chroneos, A Islam, A K M A |
| description | Using density functional theory, the phase stability and physical properties, including structural, electronic, mechanical, thermal and vibrational with defect processes, of a newly synthesized 211 MAX phase V
SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M
SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V
SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V
SnC has potential to be etched into 2D MXene. The new phase V
SnC and existing phase Nb
SnC are damage tolerant. V
SnC is elastically more anisotropic than Ti
SnC and less than the other M
SnC phases. The electronic band structure and Fermi surface of V
SnC indicate the possibility of occurrence of its superconductivity. V
SnC is expected to be a promising TBC material like Lu
SnC. The radiation tolerance in V
SnC is better than that in Lu
SnC. |
| doi_str_mv | 10.1039/D0RA07730E |
| format | article |
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SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M
SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V
SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V
SnC has potential to be etched into 2D MXene. The new phase V
SnC and existing phase Nb
SnC are damage tolerant. V
SnC is elastically more anisotropic than Ti
SnC and less than the other M
SnC phases. The electronic band structure and Fermi surface of V
SnC indicate the possibility of occurrence of its superconductivity. V
SnC is expected to be a promising TBC material like Lu
SnC. The radiation tolerance in V
SnC is better than that in Lu
SnC.</description><identifier>ISSN: 2046-2069</identifier><identifier>EISSN: 2046-2069</identifier><identifier>DOI: 10.1039/D0RA07730E</identifier><identifier>PMID: 35519691</identifier><language>eng</language><publisher>England</publisher><ispartof>RSC advances, 2020-12, Vol.10 (71), p.43783-43798</ispartof><rights>This journal is © The Royal Society of Chemistry.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c991-90b5a5b712fd6f59b3334c837c77320eb7e90fb521bacd4c67bf8e21429f35893</citedby><cites>FETCH-LOGICAL-c991-90b5a5b712fd6f59b3334c837c77320eb7e90fb521bacd4c67bf8e21429f35893</cites><orcidid>0000-0001-5036-2833 ; 0000-0003-4462-2189 ; 0000-0001-8096-1677</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/35519691$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Hadi, M A</creatorcontrib><creatorcontrib>Dahlqvist, M</creatorcontrib><creatorcontrib>Christopoulos, S-R G</creatorcontrib><creatorcontrib>Naqib, S H</creatorcontrib><creatorcontrib>Chroneos, A</creatorcontrib><creatorcontrib>Islam, A K M A</creatorcontrib><title>Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material</title><title>RSC advances</title><addtitle>RSC Adv</addtitle><description>Using density functional theory, the phase stability and physical properties, including structural, electronic, mechanical, thermal and vibrational with defect processes, of a newly synthesized 211 MAX phase V
SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M
SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V
SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V
SnC has potential to be etched into 2D MXene. The new phase V
SnC and existing phase Nb
SnC are damage tolerant. V
SnC is elastically more anisotropic than Ti
SnC and less than the other M
SnC phases. The electronic band structure and Fermi surface of V
SnC indicate the possibility of occurrence of its superconductivity. V
SnC is expected to be a promising TBC material like Lu
SnC. The radiation tolerance in V
SnC is better than that in Lu
SnC.</description><issn>2046-2069</issn><issn>2046-2069</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNpNkEtLw0AUhQdRbKnd-APkroXoPDKTjrua1gdUBK3iLtyZzNhIkpaZiPTfG6mvuzl38XHgfIQcM3rGqNDnM_owpVkm6HyPDDlNVcKp0vv__gEZx_hG-1OSccUOyUBIybTSbEie8pVrKot1vYXYoakdtO4D7qYvsFlhdPAMHB7b_AIQSmzw1QG2JQQsK-yqdQvdunYB2w6Wlzk02LlQYX1EDjzW0Y2_c0SWV_NlfpMs7q9v8-kisVqzRFMjUZqMcV8qL7URQqR2IjLb7-HUmcxp6o3kzKAtU6sy4yeOs5RrL-REixE53dXasI4xOF9sQtVg2BaMFl92ij87PXyygzfvpnHlL_rjQnwCeeFc2A</recordid><startdate>20201208</startdate><enddate>20201208</enddate><creator>Hadi, M A</creator><creator>Dahlqvist, M</creator><creator>Christopoulos, S-R G</creator><creator>Naqib, S H</creator><creator>Chroneos, A</creator><creator>Islam, A K M A</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0001-5036-2833</orcidid><orcidid>https://orcid.org/0000-0003-4462-2189</orcidid><orcidid>https://orcid.org/0000-0001-8096-1677</orcidid></search><sort><creationdate>20201208</creationdate><title>Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material</title><author>Hadi, M A ; Dahlqvist, M ; Christopoulos, S-R G ; Naqib, S H ; Chroneos, A ; Islam, A K M A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c991-90b5a5b712fd6f59b3334c837c77320eb7e90fb521bacd4c67bf8e21429f35893</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hadi, M A</creatorcontrib><creatorcontrib>Dahlqvist, M</creatorcontrib><creatorcontrib>Christopoulos, S-R G</creatorcontrib><creatorcontrib>Naqib, S H</creatorcontrib><creatorcontrib>Chroneos, A</creatorcontrib><creatorcontrib>Islam, A K M A</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><jtitle>RSC advances</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hadi, M A</au><au>Dahlqvist, M</au><au>Christopoulos, S-R G</au><au>Naqib, S H</au><au>Chroneos, A</au><au>Islam, A K M A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material</atitle><jtitle>RSC advances</jtitle><addtitle>RSC Adv</addtitle><date>2020-12-08</date><risdate>2020</risdate><volume>10</volume><issue>71</issue><spage>43783</spage><epage>43798</epage><pages>43783-43798</pages><issn>2046-2069</issn><eissn>2046-2069</eissn><abstract>Using density functional theory, the phase stability and physical properties, including structural, electronic, mechanical, thermal and vibrational with defect processes, of a newly synthesized 211 MAX phase V
SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M
SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V
SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V
SnC has potential to be etched into 2D MXene. The new phase V
SnC and existing phase Nb
SnC are damage tolerant. V
SnC is elastically more anisotropic than Ti
SnC and less than the other M
SnC phases. The electronic band structure and Fermi surface of V
SnC indicate the possibility of occurrence of its superconductivity. V
SnC is expected to be a promising TBC material like Lu
SnC. The radiation tolerance in V
SnC is better than that in Lu
SnC.</abstract><cop>England</cop><pmid>35519691</pmid><doi>10.1039/D0RA07730E</doi><tpages>16</tpages><orcidid>https://orcid.org/0000-0001-5036-2833</orcidid><orcidid>https://orcid.org/0000-0003-4462-2189</orcidid><orcidid>https://orcid.org/0000-0001-8096-1677</orcidid></addata></record> |
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| ispartof | RSC advances, 2020-12, Vol.10 (71), p.43783-43798 |
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| language | eng |
| recordid | cdi_crossref_primary_10_1039_D0RA07730E |
| source | PubMed Central (Open Access) |
| title | Chemically stable new MAX phase V 2 SnC: a damage and radiation tolerant TBC material |
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