Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability
Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energ...
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| Veröffentlicht in: | The European physical journal. B, Condensed matter physics Condensed matter physics, 2023-06, Vol.96 (6), Article 84 |
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| creator | Zhao, Rui Ye, Xiao-Juan Liu, Chun-Sheng |
| description | Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energy (1.00 eV) for single Mg atom indicates good structural stability. Silicether could undergo the transition from semiconductor to metal even at a low Mg concentration (0.0625). Furthermore, silicether exhibits the low diffusion barrier (0.21 eV), the maximum storage capacity of 744 mAh g
−1
, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs.
Graphical abstract
Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV. |
| doi_str_mv | 10.1140/epjb/s10051-023-00557-4 |
| format | Article |
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−1
, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs.
Graphical abstract
Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV.</description><identifier>ISSN: 1434-6028</identifier><identifier>EISSN: 1434-6036</identifier><identifier>DOI: 10.1140/epjb/s10051-023-00557-4</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Adsorption ; Anodes ; Batteries ; Complex Systems ; Condensed Matter Physics ; Diffusion barriers ; Diffusion rate ; Electrode materials ; Energy storage ; First principles ; Fluid- and Aerodynamics ; Ionic mobility ; Magnesium ; Metal ions ; Open circuit voltage ; Physics ; Physics and Astronomy ; Regular Article - Solid State and Materials ; Solid State Physics ; Storage capacity ; Structural stability</subject><ispartof>The European physical journal. B, Condensed matter physics, 2023-06, Vol.96 (6), Article 84</ispartof><rights>The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><rights>COPYRIGHT 2023 Springer</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c407t-72292be0e92ca644ce3dfaa06060dd4414d60edba4f785becc2b2364a4c1e3d93</citedby><cites>FETCH-LOGICAL-c407t-72292be0e92ca644ce3dfaa06060dd4414d60edba4f785becc2b2364a4c1e3d93</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1140/epjb/s10051-023-00557-4$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1140/epjb/s10051-023-00557-4$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Zhao, Rui</creatorcontrib><creatorcontrib>Ye, Xiao-Juan</creatorcontrib><creatorcontrib>Liu, Chun-Sheng</creatorcontrib><title>Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability</title><title>The European physical journal. B, Condensed matter physics</title><addtitle>Eur. Phys. J. B</addtitle><description>Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energy (1.00 eV) for single Mg atom indicates good structural stability. Silicether could undergo the transition from semiconductor to metal even at a low Mg concentration (0.0625). Furthermore, silicether exhibits the low diffusion barrier (0.21 eV), the maximum storage capacity of 744 mAh g
−1
, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs.
Graphical abstract
Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV.</description><subject>Adsorption</subject><subject>Anodes</subject><subject>Batteries</subject><subject>Complex Systems</subject><subject>Condensed Matter Physics</subject><subject>Diffusion barriers</subject><subject>Diffusion rate</subject><subject>Electrode materials</subject><subject>Energy storage</subject><subject>First principles</subject><subject>Fluid- and Aerodynamics</subject><subject>Ionic mobility</subject><subject>Magnesium</subject><subject>Metal ions</subject><subject>Open circuit voltage</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Regular Article - Solid State and Materials</subject><subject>Solid State Physics</subject><subject>Storage capacity</subject><subject>Structural stability</subject><issn>1434-6028</issn><issn>1434-6036</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNqFkUtr3TAQRk1poWna31BBV104kWT5tQyhj0Ag0KZrMZZGvrrY1q0kk9xl_3nn1qUlqzALjaRz9OAriveCXwih-CUe9sNlEpzXouSyKqmp21K9KM6EqlTZ8Kp5-a-X3eviTUp7zrlohDorft0_hNL6GZfkwwITS37yBvMOI4PEYGH4aHCacMk0CRbZDBmjJ9KFSJNxweTXuSSbDZBp78gefN6xnR93zMABjM9Hci1zkDKz3rn1dBeDga7Kx7fFKwdTwnd_x_Pix-dP99dfy9u7LzfXV7elUbzNZStlLwfk2EsDjVIGK-sAeENlrVJC2YajHUC5tqsHNEYOsmoUKCMI7avz4sN27iGGnyumrPdhjfTlpGUne971Fa-IutioESbUfnEhRzBUFmdvwoLO0_pVW6taNLVsSPj4RCAm42MeYU1J33z_9pRtN9bEkFJEpw_RzxCPWnB9ClOfwtRbmJrC1H_C1IrMbjMTGcuI8f_jn1N_A7mip5Y</recordid><startdate>20230601</startdate><enddate>20230601</enddate><creator>Zhao, Rui</creator><creator>Ye, Xiao-Juan</creator><creator>Liu, Chun-Sheng</creator><general>Springer Berlin Heidelberg</general><general>Springer</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>ISR</scope></search><sort><creationdate>20230601</creationdate><title>Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability</title><author>Zhao, Rui ; Ye, Xiao-Juan ; Liu, Chun-Sheng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c407t-72292be0e92ca644ce3dfaa06060dd4414d60edba4f785becc2b2364a4c1e3d93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Adsorption</topic><topic>Anodes</topic><topic>Batteries</topic><topic>Complex Systems</topic><topic>Condensed Matter Physics</topic><topic>Diffusion barriers</topic><topic>Diffusion rate</topic><topic>Electrode materials</topic><topic>Energy storage</topic><topic>First principles</topic><topic>Fluid- and Aerodynamics</topic><topic>Ionic mobility</topic><topic>Magnesium</topic><topic>Metal ions</topic><topic>Open circuit voltage</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Regular Article - Solid State and Materials</topic><topic>Solid State Physics</topic><topic>Storage capacity</topic><topic>Structural stability</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhao, Rui</creatorcontrib><creatorcontrib>Ye, Xiao-Juan</creatorcontrib><creatorcontrib>Liu, Chun-Sheng</creatorcontrib><collection>CrossRef</collection><collection>Gale In Context: Science</collection><jtitle>The European physical journal. B, Condensed matter physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhao, Rui</au><au>Ye, Xiao-Juan</au><au>Liu, Chun-Sheng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability</atitle><jtitle>The European physical journal. B, Condensed matter physics</jtitle><stitle>Eur. Phys. J. B</stitle><date>2023-06-01</date><risdate>2023</risdate><volume>96</volume><issue>6</issue><artnum>84</artnum><issn>1434-6028</issn><eissn>1434-6036</eissn><abstract>Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energy (1.00 eV) for single Mg atom indicates good structural stability. Silicether could undergo the transition from semiconductor to metal even at a low Mg concentration (0.0625). Furthermore, silicether exhibits the low diffusion barrier (0.21 eV), the maximum storage capacity of 744 mAh g
−1
, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs.
Graphical abstract
Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><doi>10.1140/epjb/s10051-023-00557-4</doi></addata></record> |
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| subjects | Adsorption Anodes Batteries Complex Systems Condensed Matter Physics Diffusion barriers Diffusion rate Electrode materials Energy storage First principles Fluid- and Aerodynamics Ionic mobility Magnesium Metal ions Open circuit voltage Physics Physics and Astronomy Regular Article - Solid State and Materials Solid State Physics Storage capacity Structural stability |
| title | Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability |
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