Loading…
A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations
Rechargeable lithium-oxygen (Li-O 2 ) batteries with ultrahigh theoretical energy density have attracted great attention as energy storage and conversion devices. However, due to the insoluble-insulating nature of the discharge product (Li 2 O 2 ) and the high activity of the superoxide intermediate...
Saved in:
| Published in: | Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2021-04, Vol.9 (13), p.816-8194 |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Citations: | Items that this one cites Items that cite this one |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| cited_by | cdi_FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3 |
|---|---|
| cites | cdi_FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3 |
| container_end_page | 8194 |
| container_issue | 13 |
| container_start_page | 816 |
| container_title | Journal of materials chemistry. A, Materials for energy and sustainability |
| container_volume | 9 |
| creator | Ding, Shengqi Yu, Xuebin Ma, Zi-Feng Yuan, Xianxia |
| description | Rechargeable lithium-oxygen (Li-O
2
) batteries with ultrahigh theoretical energy density have attracted great attention as energy storage and conversion devices. However, due to the insoluble-insulating nature of the discharge product (Li
2
O
2
) and the high activity of the superoxide intermediate and Li-metal anode, the practical performance of aprotic Li-O
2
batteries, as a type of mostly studied and developed Li-O
2
battery, is greatly lower than expected. In recent years, theoretical calculations from both density functional theory (DFT) and molecular dynamic (MD) simulation have greatly contributed to understanding the reaction mechanisms and designing efficient materials for aprotic Li-O
2
batteries at the atomic scale. In this review, the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries from the Li
2
O
2
growth/morphology, catalytic reaction kinetics, electrolytes and anode stability have been summarized and discussed, and the challenges, perspectives and future research directions have been proposed.
This review covers the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries. |
| doi_str_mv | 10.1039/d1ta00646k |
| format | article |
| fullrecord | <record><control><sourceid>proquest_rsc_p</sourceid><recordid>TN_cdi_rsc_primary_d1ta00646k</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2508908099</sourcerecordid><originalsourceid>FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3</originalsourceid><addsrcrecordid>eNpFkE1PAjEQhhujiQS5eDdp4s1ktWXp0h4JfkYSL3jedNtZKC5bbLso_94RDPYy70yfmcy8hFxydstZru4sT5qxYlR8nJDekAmWjUeqOD1qKc_JIMYVwycRVKpH_IQG2Dr4or5GZZY6LEBXDVC9CT45QxuXlq5bZ_57t4CWVjolCA4iqgiW-pamJfgAyOqG6tZS49ebLunkfIsV124hJrfY5_GCnNW6iTD4i33y_vgwnz5ns7enl-lklpmcy5TJ2hgrRK4KaauxkIUQVlpZWDEUTIMRXJmR5JALbYwUFRtLgz_Yk1srmM375PowF6_47HCBcuW7gPvEEjmp0AClkLo5UCb4GAPU5Sa4tQ67krPy19Pyns8ne09fEb46wCGaI_fvef4DiJN1Sg</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2508908099</pqid></control><display><type>article</type><title>A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations</title><source>Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list)</source><creator>Ding, Shengqi ; Yu, Xuebin ; Ma, Zi-Feng ; Yuan, Xianxia</creator><creatorcontrib>Ding, Shengqi ; Yu, Xuebin ; Ma, Zi-Feng ; Yuan, Xianxia</creatorcontrib><description>Rechargeable lithium-oxygen (Li-O
2
) batteries with ultrahigh theoretical energy density have attracted great attention as energy storage and conversion devices. However, due to the insoluble-insulating nature of the discharge product (Li
2
O
2
) and the high activity of the superoxide intermediate and Li-metal anode, the practical performance of aprotic Li-O
2
batteries, as a type of mostly studied and developed Li-O
2
battery, is greatly lower than expected. In recent years, theoretical calculations from both density functional theory (DFT) and molecular dynamic (MD) simulation have greatly contributed to understanding the reaction mechanisms and designing efficient materials for aprotic Li-O
2
batteries at the atomic scale. In this review, the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries from the Li
2
O
2
growth/morphology, catalytic reaction kinetics, electrolytes and anode stability have been summarized and discussed, and the challenges, perspectives and future research directions have been proposed.
This review covers the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries.</description><identifier>ISSN: 2050-7488</identifier><identifier>EISSN: 2050-7496</identifier><identifier>DOI: 10.1039/d1ta00646k</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Anodes ; Computer applications ; Density functional theory ; Electrolytes ; Energy storage ; Flux density ; Lithium ; Molecular dynamics ; Morphology ; Oxygen ; Reaction kinetics ; Reaction mechanisms ; Rechargeable batteries ; Superoxide</subject><ispartof>Journal of materials chemistry. A, Materials for energy and sustainability, 2021-04, Vol.9 (13), p.816-8194</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3</citedby><cites>FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3</cites><orcidid>0000-0001-5002-9766 ; 0000-0002-4035-0991 ; 0000-0002-5550-8747</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,786,790,27957,27958</link.rule.ids></links><search><creatorcontrib>Ding, Shengqi</creatorcontrib><creatorcontrib>Yu, Xuebin</creatorcontrib><creatorcontrib>Ma, Zi-Feng</creatorcontrib><creatorcontrib>Yuan, Xianxia</creatorcontrib><title>A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations</title><title>Journal of materials chemistry. A, Materials for energy and sustainability</title><description>Rechargeable lithium-oxygen (Li-O
2
) batteries with ultrahigh theoretical energy density have attracted great attention as energy storage and conversion devices. However, due to the insoluble-insulating nature of the discharge product (Li
2
O
2
) and the high activity of the superoxide intermediate and Li-metal anode, the practical performance of aprotic Li-O
2
batteries, as a type of mostly studied and developed Li-O
2
battery, is greatly lower than expected. In recent years, theoretical calculations from both density functional theory (DFT) and molecular dynamic (MD) simulation have greatly contributed to understanding the reaction mechanisms and designing efficient materials for aprotic Li-O
2
batteries at the atomic scale. In this review, the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries from the Li
2
O
2
growth/morphology, catalytic reaction kinetics, electrolytes and anode stability have been summarized and discussed, and the challenges, perspectives and future research directions have been proposed.
This review covers the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries.</description><subject>Anodes</subject><subject>Computer applications</subject><subject>Density functional theory</subject><subject>Electrolytes</subject><subject>Energy storage</subject><subject>Flux density</subject><subject>Lithium</subject><subject>Molecular dynamics</subject><subject>Morphology</subject><subject>Oxygen</subject><subject>Reaction kinetics</subject><subject>Reaction mechanisms</subject><subject>Rechargeable batteries</subject><subject>Superoxide</subject><issn>2050-7488</issn><issn>2050-7496</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpFkE1PAjEQhhujiQS5eDdp4s1ktWXp0h4JfkYSL3jedNtZKC5bbLso_94RDPYy70yfmcy8hFxydstZru4sT5qxYlR8nJDekAmWjUeqOD1qKc_JIMYVwycRVKpH_IQG2Dr4or5GZZY6LEBXDVC9CT45QxuXlq5bZ_57t4CWVjolCA4iqgiW-pamJfgAyOqG6tZS49ebLunkfIsV124hJrfY5_GCnNW6iTD4i33y_vgwnz5ns7enl-lklpmcy5TJ2hgrRK4KaauxkIUQVlpZWDEUTIMRXJmR5JALbYwUFRtLgz_Yk1srmM375PowF6_47HCBcuW7gPvEEjmp0AClkLo5UCb4GAPU5Sa4tQ67krPy19Pyns8ne09fEb46wCGaI_fvef4DiJN1Sg</recordid><startdate>20210407</startdate><enddate>20210407</enddate><creator>Ding, Shengqi</creator><creator>Yu, Xuebin</creator><creator>Ma, Zi-Feng</creator><creator>Yuan, Xianxia</creator><general>Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SP</scope><scope>7SR</scope><scope>7ST</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>JG9</scope><scope>L7M</scope><scope>SOI</scope><orcidid>https://orcid.org/0000-0001-5002-9766</orcidid><orcidid>https://orcid.org/0000-0002-4035-0991</orcidid><orcidid>https://orcid.org/0000-0002-5550-8747</orcidid></search><sort><creationdate>20210407</creationdate><title>A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations</title><author>Ding, Shengqi ; Yu, Xuebin ; Ma, Zi-Feng ; Yuan, Xianxia</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Anodes</topic><topic>Computer applications</topic><topic>Density functional theory</topic><topic>Electrolytes</topic><topic>Energy storage</topic><topic>Flux density</topic><topic>Lithium</topic><topic>Molecular dynamics</topic><topic>Morphology</topic><topic>Oxygen</topic><topic>Reaction kinetics</topic><topic>Reaction mechanisms</topic><topic>Rechargeable batteries</topic><topic>Superoxide</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ding, Shengqi</creatorcontrib><creatorcontrib>Yu, Xuebin</creatorcontrib><creatorcontrib>Ma, Zi-Feng</creatorcontrib><creatorcontrib>Yuan, Xianxia</creatorcontrib><collection>CrossRef</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Environment Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Environment Abstracts</collection><jtitle>Journal of materials chemistry. A, Materials for energy and sustainability</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ding, Shengqi</au><au>Yu, Xuebin</au><au>Ma, Zi-Feng</au><au>Yuan, Xianxia</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations</atitle><jtitle>Journal of materials chemistry. A, Materials for energy and sustainability</jtitle><date>2021-04-07</date><risdate>2021</risdate><volume>9</volume><issue>13</issue><spage>816</spage><epage>8194</epage><pages>816-8194</pages><issn>2050-7488</issn><eissn>2050-7496</eissn><notes>Dr Zi-Feng Ma is a Chair Professor and Director of the Shanghai Electrochemical Energy Devices (SEED) Research Center at Shanghai Jiao Tong University, where he is responsible for directing the research and development of advanced energy materials and electrochemical energy systems for electric vehicles and energy storage applications. He is a Fellow of the Chemical Industry and Engineering Society of China (FCIESC) and the Chair of the Institute of Energy Storage Engineering of CIESC. Prof. Ma holds or has filed over 50 patents and patent applications and has over 300 publications.</notes><notes>Dr Xianxia Yuan is a full professor in Shanghai Jiao Tong University (SJTU), China. She received her PhD in Material Physics and Chemistry from the Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences in 2002. After that she joined the School of Chemistry and Chemical Engineering in SJTU as an assistant professor (2002-2004), associate professor (2004-2016) and full professor (2016-present). From 2008 through 2009, Dr Yuan worked in Pennsylvania State University, USA. Dr Yuan's research interest is now focused on advanced materials for electrochemical energy storage and conversion systems including fuel cells, metal-air batteries and Li/Na/K-ion batteries.</notes><notes>Dr Xuebin Yu received his PhD degree from the Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Science in 2004. He then worked as a postdoctoral fellow at the University of Nottingham and the University of Wollongong from January 2005 to December 2006 and March 2007 to March 2008, respectively. In 2008, he joined Fudan University and now works as a professor in the Department of Materials. His research interests cover hydrogen storage, fuel-cell integration with hydrogen systems, hydride-based solid-state electrolytes, metal-air batteries, lithium/sodium-ion batteries, and development of nanomaterials for energy storage.</notes><notes>Shengqi Ding received his Master of Engineering from the Taiyuan University of Technology in 2018. He joined the School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, in 2020 as a PhD student under the supervision of Prof. Xianxia Yuan. His current research is focused on advanced materials for lithium-air batteries based on theoretical calculations.</notes><abstract>Rechargeable lithium-oxygen (Li-O
2
) batteries with ultrahigh theoretical energy density have attracted great attention as energy storage and conversion devices. However, due to the insoluble-insulating nature of the discharge product (Li
2
O
2
) and the high activity of the superoxide intermediate and Li-metal anode, the practical performance of aprotic Li-O
2
batteries, as a type of mostly studied and developed Li-O
2
battery, is greatly lower than expected. In recent years, theoretical calculations from both density functional theory (DFT) and molecular dynamic (MD) simulation have greatly contributed to understanding the reaction mechanisms and designing efficient materials for aprotic Li-O
2
batteries at the atomic scale. In this review, the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries from the Li
2
O
2
growth/morphology, catalytic reaction kinetics, electrolytes and anode stability have been summarized and discussed, and the challenges, perspectives and future research directions have been proposed.
This review covers the recent advances in theoretical and computational investigations on aprotic Li-O
2
batteries.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d1ta00646k</doi><tpages>35</tpages><orcidid>https://orcid.org/0000-0001-5002-9766</orcidid><orcidid>https://orcid.org/0000-0002-4035-0991</orcidid><orcidid>https://orcid.org/0000-0002-5550-8747</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2050-7488 |
| ispartof | Journal of materials chemistry. A, Materials for energy and sustainability, 2021-04, Vol.9 (13), p.816-8194 |
| issn | 2050-7488 2050-7496 |
| language | eng |
| recordid | cdi_rsc_primary_d1ta00646k |
| source | Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list) |
| subjects | Anodes Computer applications Density functional theory Electrolytes Energy storage Flux density Lithium Molecular dynamics Morphology Oxygen Reaction kinetics Reaction mechanisms Rechargeable batteries Superoxide |
| title | A review of rechargeable aprotic lithium-oxygen batteries based on theoretical and computational investigations |
| url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-09-21T18%3A05%3A03IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_rsc_p&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=A%20review%20of%20rechargeable%20aprotic%20lithium-oxygen%20batteries%20based%20on%20theoretical%20and%20computational%20investigations&rft.jtitle=Journal%20of%20materials%20chemistry.%20A,%20Materials%20for%20energy%20and%20sustainability&rft.au=Ding,%20Shengqi&rft.date=2021-04-07&rft.volume=9&rft.issue=13&rft.spage=816&rft.epage=8194&rft.pages=816-8194&rft.issn=2050-7488&rft.eissn=2050-7496&rft_id=info:doi/10.1039/d1ta00646k&rft_dat=%3Cproquest_rsc_p%3E2508908099%3C/proquest_rsc_p%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c318t-8fccd553968db758655d8d86d5250aec519c481e35acc85b078c250cd53dd50d3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2508908099&rft_id=info:pmid/&rfr_iscdi=true |