High-throughput identification of materials for silicon tandem solar cells
High-throughput ab initio calculations are employed to identify the most promising materials for Si tandem solar cells. Starting with the Materials Project database of more than 131 000 materials, we evaluate the relevant properties of thermodynamic stability, lattice mismatch with silicon, band gap...
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| Veröffentlicht in: | Sustainable energy & fuels 2023-01, Vol.7 (3), p.812-82 |
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| container_title | Sustainable energy & fuels |
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| creator | Zhao, Yanzhen Yao, Zhikun Liu, Chang Ren, Wei Hautier, Geoffroy Burton, Lee A |
| description | High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells. Starting with the Materials Project database of more than 131 000 materials, we evaluate the relevant properties of thermodynamic stability, lattice mismatch with silicon, band gap, effective mass, optical absorption coefficient and dynamic stability. The identified 11 optimal candidates represent a variety of material chemistries with oxides, pnictogenides, and chalcogenides included. Among them, perhaps the most promising is Cu
2
ZnSiSe
4
, which has almost ideal properties for all physical criteria and is composed of relatively earth-abundant constituents.
High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells from over 100 000 candidates. |
| doi_str_mv | 10.1039/d2se01350a |
| format | Article |
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ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells. Starting with the Materials Project database of more than 131 000 materials, we evaluate the relevant properties of thermodynamic stability, lattice mismatch with silicon, band gap, effective mass, optical absorption coefficient and dynamic stability. The identified 11 optimal candidates represent a variety of material chemistries with oxides, pnictogenides, and chalcogenides included. Among them, perhaps the most promising is Cu
2
ZnSiSe
4
, which has almost ideal properties for all physical criteria and is composed of relatively earth-abundant constituents.
High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells from over 100 000 candidates.</description><identifier>ISSN: 2398-4902</identifier><identifier>EISSN: 2398-4902</identifier><identifier>DOI: 10.1039/d2se01350a</identifier><language>eng</language><publisher>London: Royal Society of Chemistry</publisher><subject>Absorptivity ; Dynamic stability ; Photovoltaic cells ; Silicon ; Solar cells ; Stability analysis</subject><ispartof>Sustainable energy & fuels, 2023-01, Vol.7 (3), p.812-82</ispartof><rights>Copyright Royal Society of Chemistry 2023</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c240t-1befc7cd9817a63162a35b623967d909d481fb339ac04793d849bc25b186dd453</cites><orcidid>0000-0001-7317-3867 ; 0000-0001-5013-0549 ; 0000-0002-0647-5483</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,27929,27930</link.rule.ids></links><search><creatorcontrib>Zhao, Yanzhen</creatorcontrib><creatorcontrib>Yao, Zhikun</creatorcontrib><creatorcontrib>Liu, Chang</creatorcontrib><creatorcontrib>Ren, Wei</creatorcontrib><creatorcontrib>Hautier, Geoffroy</creatorcontrib><creatorcontrib>Burton, Lee A</creatorcontrib><title>High-throughput identification of materials for silicon tandem solar cells</title><title>Sustainable energy & fuels</title><description>High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells. Starting with the Materials Project database of more than 131 000 materials, we evaluate the relevant properties of thermodynamic stability, lattice mismatch with silicon, band gap, effective mass, optical absorption coefficient and dynamic stability. The identified 11 optimal candidates represent a variety of material chemistries with oxides, pnictogenides, and chalcogenides included. Among them, perhaps the most promising is Cu
2
ZnSiSe
4
, which has almost ideal properties for all physical criteria and is composed of relatively earth-abundant constituents.
High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells from over 100 000 candidates.</description><subject>Absorptivity</subject><subject>Dynamic stability</subject><subject>Photovoltaic cells</subject><subject>Silicon</subject><subject>Solar cells</subject><subject>Stability analysis</subject><issn>2398-4902</issn><issn>2398-4902</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpN0EtLAzEQB_AgCpbai3ch4E1YnTx2szmWWl8UPKjnJZtHm7Ld1CR78Nu7WlFPMzA_ZoY_QucErgkweWNoskBYCeoITSiTdcEl0ON__SmapbQFAEoop6WYoKcHv94UeRPDsN7sh4y9sX32zmuVfehxcHinso1edQm7EHHyndfjIKve2B1OoVMRa9t16QyduFHZ2U-dore75evioVg93z8u5qtCUw65IK11WmgjayJUxUhFFSvbavyxEkaCNLwmrmVMKg1cSGZqLltNy5bUlTG8ZFN0edi7j-F9sCk32zDEfjzZUCEIVDWnMKqrg9IxpBSta_bR71T8aAg0X3E1t_Rl-R3XfMQXBxyT_nV_cbJPEh9mFg</recordid><startdate>20230131</startdate><enddate>20230131</enddate><creator>Zhao, Yanzhen</creator><creator>Yao, Zhikun</creator><creator>Liu, Chang</creator><creator>Ren, Wei</creator><creator>Hautier, Geoffroy</creator><creator>Burton, Lee A</creator><general>Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QO</scope><scope>7SP</scope><scope>7ST</scope><scope>7U6</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>L7M</scope><scope>P64</scope><orcidid>https://orcid.org/0000-0001-7317-3867</orcidid><orcidid>https://orcid.org/0000-0001-5013-0549</orcidid><orcidid>https://orcid.org/0000-0002-0647-5483</orcidid></search><sort><creationdate>20230131</creationdate><title>High-throughput identification of materials for silicon tandem solar cells</title><author>Zhao, Yanzhen ; Yao, Zhikun ; Liu, Chang ; Ren, Wei ; Hautier, Geoffroy ; Burton, Lee A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c240t-1befc7cd9817a63162a35b623967d909d481fb339ac04793d849bc25b186dd453</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Absorptivity</topic><topic>Dynamic stability</topic><topic>Photovoltaic cells</topic><topic>Silicon</topic><topic>Solar cells</topic><topic>Stability analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhao, Yanzhen</creatorcontrib><creatorcontrib>Yao, Zhikun</creatorcontrib><creatorcontrib>Liu, Chang</creatorcontrib><creatorcontrib>Ren, Wei</creatorcontrib><creatorcontrib>Hautier, Geoffroy</creatorcontrib><creatorcontrib>Burton, Lee A</creatorcontrib><collection>CrossRef</collection><collection>Biotechnology Research Abstracts</collection><collection>Electronics & Communications Abstracts</collection><collection>Environment Abstracts</collection><collection>Sustainability Science Abstracts</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Biotechnology and BioEngineering Abstracts</collection><jtitle>Sustainable energy & fuels</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhao, Yanzhen</au><au>Yao, Zhikun</au><au>Liu, Chang</au><au>Ren, Wei</au><au>Hautier, Geoffroy</au><au>Burton, Lee A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>High-throughput identification of materials for silicon tandem solar cells</atitle><jtitle>Sustainable energy & fuels</jtitle><date>2023-01-31</date><risdate>2023</risdate><volume>7</volume><issue>3</issue><spage>812</spage><epage>82</epage><pages>812-82</pages><issn>2398-4902</issn><eissn>2398-4902</eissn><abstract>High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells. Starting with the Materials Project database of more than 131 000 materials, we evaluate the relevant properties of thermodynamic stability, lattice mismatch with silicon, band gap, effective mass, optical absorption coefficient and dynamic stability. The identified 11 optimal candidates represent a variety of material chemistries with oxides, pnictogenides, and chalcogenides included. Among them, perhaps the most promising is Cu
2
ZnSiSe
4
, which has almost ideal properties for all physical criteria and is composed of relatively earth-abundant constituents.
High-throughput
ab initio
calculations are employed to identify the most promising materials for Si tandem solar cells from over 100 000 candidates.</abstract><cop>London</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d2se01350a</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0001-7317-3867</orcidid><orcidid>https://orcid.org/0000-0001-5013-0549</orcidid><orcidid>https://orcid.org/0000-0002-0647-5483</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2398-4902 |
| ispartof | Sustainable energy & fuels, 2023-01, Vol.7 (3), p.812-82 |
| issn | 2398-4902 2398-4902 |
| language | eng |
| recordid | cdi_crossref_primary_10_1039_D2SE01350A |
| source | Royal Society Of Chemistry Journals |
| subjects | Absorptivity Dynamic stability Photovoltaic cells Silicon Solar cells Stability analysis |
| title | High-throughput identification of materials for silicon tandem solar cells |
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