Combined Theoretical and Experimental Studies of Sodium Battery Materials
Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and mo...
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| Veröffentlicht in: | Chemical record 2019-04, Vol.19 (4), p.792-798 |
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| container_title | Chemical record |
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| creator | Watanabe, Eriko Chung, Sai‐Cheong Nishimura, Shin‐ichi Yamada, Yuki Okubo, Masashi Sodeyama, Keitaro Tateyama, Yoshitaka Yamada, Atsuo |
| description | Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.
Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods. |
| doi_str_mv | 10.1002/tcr.201800125 |
| format | Article |
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Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.</description><identifier>ISSN: 1527-8999</identifier><identifier>EISSN: 1528-0691</identifier><identifier>DOI: 10.1002/tcr.201800125</identifier><identifier>PMID: 30694022</identifier><language>eng</language><publisher>United States: Wiley Subscription Services, Inc</publisher><subject>Batteries ; Case studies ; Density functional theory ; DFT ; electrode ; electrolyte ; Mathematical analysis ; Molecular dynamics ; Na-ion battery ; Organic chemistry ; Rechargeable batteries ; Sodium</subject><ispartof>Chemical record, 2019-04, Vol.19 (4), p.792-798</ispartof><rights>2019 The Chemical Society of Japan & Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>2019 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c4355-1b69cd2d3cd22c0ca0999d186ed8024cf2012c5e04b7f8441423e8c8cf7698cc3</citedby><cites>FETCH-LOGICAL-c4355-1b69cd2d3cd22c0ca0999d186ed8024cf2012c5e04b7f8441423e8c8cf7698cc3</cites><orcidid>0000-0003-4220-9710</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Ftcr.201800125$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Ftcr.201800125$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,27901,27902,45550,45551</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/30694022$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Watanabe, Eriko</creatorcontrib><creatorcontrib>Chung, Sai‐Cheong</creatorcontrib><creatorcontrib>Nishimura, Shin‐ichi</creatorcontrib><creatorcontrib>Yamada, Yuki</creatorcontrib><creatorcontrib>Okubo, Masashi</creatorcontrib><creatorcontrib>Sodeyama, Keitaro</creatorcontrib><creatorcontrib>Tateyama, Yoshitaka</creatorcontrib><creatorcontrib>Yamada, Atsuo</creatorcontrib><title>Combined Theoretical and Experimental Studies of Sodium Battery Materials</title><title>Chemical record</title><addtitle>Chem Rec</addtitle><description>Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.
Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.</description><subject>Batteries</subject><subject>Case studies</subject><subject>Density functional theory</subject><subject>DFT</subject><subject>electrode</subject><subject>electrolyte</subject><subject>Mathematical analysis</subject><subject>Molecular dynamics</subject><subject>Na-ion battery</subject><subject>Organic chemistry</subject><subject>Rechargeable batteries</subject><subject>Sodium</subject><issn>1527-8999</issn><issn>1528-0691</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp9kMFLwzAUxoMobk6PXqXgxUtnkiZretQydTAR3DyHNnnFjLaZSYvuvze6OcGDl_c9Hj8-3vchdE7wmGBMrzvlxhQTgTGh_AANCacixpOMHH7vaSyyLBugE-9XASEsTY_RIAkAw5QO0Sy3TWla0NHyFayDzqiijopWR9OPNTjTQNuFw6LrtQEf2SpaWG36Jrotug7cJnosgpii9qfoqAoCZzsdoZe76TJ_iOdP97P8Zh4rlnAek3KSKU11EgZVWBU4_KeJmIAWmDJVhTBUccCsTCvBGGE0AaGEqtJJJpRKRuhq67t29q0H38nGeAV1XbRgey8pSTPGGOU4oJd_0JXtXRu-k5TiBHPGGQlUvKWUs947qOQ65C7cRhIsvzqWoWO57zjwFzvXvmxA7-mfUgOQboF3U8Pmfze5zJ9_rT8BtNuGDw</recordid><startdate>201904</startdate><enddate>201904</enddate><creator>Watanabe, Eriko</creator><creator>Chung, Sai‐Cheong</creator><creator>Nishimura, Shin‐ichi</creator><creator>Yamada, Yuki</creator><creator>Okubo, Masashi</creator><creator>Sodeyama, Keitaro</creator><creator>Tateyama, Yoshitaka</creator><creator>Yamada, Atsuo</creator><general>Wiley Subscription Services, Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QO</scope><scope>7T7</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>P64</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-4220-9710</orcidid></search><sort><creationdate>201904</creationdate><title>Combined Theoretical and Experimental Studies of Sodium Battery Materials</title><author>Watanabe, Eriko ; Chung, Sai‐Cheong ; Nishimura, Shin‐ichi ; Yamada, Yuki ; Okubo, Masashi ; Sodeyama, Keitaro ; Tateyama, Yoshitaka ; Yamada, Atsuo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4355-1b69cd2d3cd22c0ca0999d186ed8024cf2012c5e04b7f8441423e8c8cf7698cc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Batteries</topic><topic>Case studies</topic><topic>Density functional theory</topic><topic>DFT</topic><topic>electrode</topic><topic>electrolyte</topic><topic>Mathematical analysis</topic><topic>Molecular dynamics</topic><topic>Na-ion battery</topic><topic>Organic chemistry</topic><topic>Rechargeable batteries</topic><topic>Sodium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Watanabe, Eriko</creatorcontrib><creatorcontrib>Chung, Sai‐Cheong</creatorcontrib><creatorcontrib>Nishimura, Shin‐ichi</creatorcontrib><creatorcontrib>Yamada, Yuki</creatorcontrib><creatorcontrib>Okubo, Masashi</creatorcontrib><creatorcontrib>Sodeyama, Keitaro</creatorcontrib><creatorcontrib>Tateyama, Yoshitaka</creatorcontrib><creatorcontrib>Yamada, Atsuo</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Biotechnology Research Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>MEDLINE - Academic</collection><jtitle>Chemical record</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Watanabe, Eriko</au><au>Chung, Sai‐Cheong</au><au>Nishimura, Shin‐ichi</au><au>Yamada, Yuki</au><au>Okubo, Masashi</au><au>Sodeyama, Keitaro</au><au>Tateyama, Yoshitaka</au><au>Yamada, Atsuo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Combined Theoretical and Experimental Studies of Sodium Battery Materials</atitle><jtitle>Chemical record</jtitle><addtitle>Chem Rec</addtitle><date>2019-04</date><risdate>2019</risdate><volume>19</volume><issue>4</issue><spage>792</spage><epage>798</epage><pages>792-798</pages><issn>1527-8999</issn><eissn>1528-0691</eissn><abstract>Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. 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Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.</abstract><cop>United States</cop><pub>Wiley Subscription Services, Inc</pub><pmid>30694022</pmid><doi>10.1002/tcr.201800125</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0003-4220-9710</orcidid></addata></record> |
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| ispartof | Chemical record, 2019-04, Vol.19 (4), p.792-798 |
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| language | eng |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Batteries Case studies Density functional theory DFT electrode electrolyte Mathematical analysis Molecular dynamics Na-ion battery Organic chemistry Rechargeable batteries Sodium |
| title | Combined Theoretical and Experimental Studies of Sodium Battery Materials |
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