{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T18:22:01Z","timestamp":1782930121815,"version":"3.54.5"},"reference-count":140,"publisher":"Royal Society of Chemistry (RSC)","issue":"23","license":[{"start":{"date-parts":[[2025,6,2]],"date-time":"2025-06-02T00:00:00Z","timestamp":1748822400000},"content-version":"vor","delay-in-days":152,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["452855747"],"award-info":[{"award-number":["452855747"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Adv."],"abstract":"<jats:p>\n                    Comprehensive simulation of conductivity in Sc- and Si-substituted NaZr\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>3<\/jats:sub>\n                    O\n                    <jats:sub>12<\/jats:sub>\n                    .\n                  <\/jats:p>","DOI":"10.1039\/d5ra01549a","type":"journal-article","created":{"date-parts":[[2025,6,2]],"date-time":"2025-06-02T06:14:22Z","timestamp":1748844862000},"page":"18224-18236","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["A comprehensive exploration of Na\n                    <sup>+<\/sup>\n                    ion transport in NaSICONs using molecular dynamics simulations"],"prefix":"10.1039","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-3769-052X","authenticated-orcid":false,"given":"Judith","family":"Schuett","sequence":"first","affiliation":[{"name":"Faculty of Chemical Engineering, FH M\u00fcnster \u2013 University of Applied Sciences, Stegerwaldstra\u00dfe 39, 48565 Steinfurt, Germany"},{"name":"Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7583-6417","authenticated-orcid":false,"given":"Steffen","family":"Neitzel-Grieshammer","sequence":"additional","affiliation":[{"name":"Faculty of Chemical Engineering, FH M\u00fcnster \u2013 University of Applied Sciences, Stegerwaldstra\u00dfe 39, 48565 Steinfurt, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuta","family":"Takimoto","sequence":"additional","affiliation":[{"name":"Department of Advanced Ceramics, Nagoya Institute of Technology, Gokiso, Showa, Nagoya 466-8555, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8244-5844","authenticated-orcid":false,"given":"Ryo","family":"Kobayashi","sequence":"additional","affiliation":[{"name":"Department of Applied Physics, Nagoya Institute of Technology, Gokiso, Showa, Nagoya 466-8555, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5113-053X","authenticated-orcid":false,"given":"Masanobu","family":"Nakayama","sequence":"additional","affiliation":[{"name":"Department of Advanced Ceramics, Nagoya Institute of Technology, Gokiso, Showa, Nagoya 466-8555, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5RA01549A\/cit1\/1","doi-asserted-by":"crossref","first-page":"1703137","DOI":"10.1002\/aenm.201703137","volume":"8","author":"Delmas","year":"2018","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit2\/1","doi-asserted-by":"crossref","first-page":"11636","DOI":"10.1021\/cr500192f","volume":"114","author":"Yabuuchi","year":"2014","journal-title":"Chem. Rev."},{"key":"D5RA01549A\/cit3\/1","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1038\/nchem.2085","volume":"7","author":"Larcher","year":"2015","journal-title":"Nat. Chem."},{"key":"D5RA01549A\/cit4\/1","doi-asserted-by":"crossref","first-page":"3431","DOI":"10.1002\/anie.201410376","volume":"54","author":"Kundu","year":"2015","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5RA01549A\/cit5\/1","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/j.cossms.2012.04.002","volume":"16","author":"Ellis","year":"2012","journal-title":"Curr. Opin. Solid State Mater. Sci."},{"key":"D5RA01549A\/cit6\/1","doi-asserted-by":"crossref","first-page":"5884","DOI":"10.1039\/c2ee02781j","volume":"5","author":"Palomares","year":"2012","journal-title":"Energy Environ. Sci."},{"key":"D5RA01549A\/cit7\/1","doi-asserted-by":"crossref","first-page":"947","DOI":"10.1002\/adfm.201200691","volume":"23","author":"Slater","year":"2013","journal-title":"Adv. Funct. Mater."},{"key":"D5RA01549A\/cit8\/1","doi-asserted-by":"crossref","first-page":"2338","DOI":"10.1039\/c3ee40847g","volume":"6","author":"Pan","year":"2013","journal-title":"Energy Environ. Sci."},{"key":"D5RA01549A\/cit9\/1","doi-asserted-by":"crossref","first-page":"2067","DOI":"10.1039\/c3ee40811f","volume":"6","author":"Hong","year":"2013","journal-title":"Energy Environ. Sci."},{"key":"D5RA01549A\/cit10\/1","doi-asserted-by":"crossref","first-page":"3529","DOI":"10.1039\/C6CS00776G","volume":"46","author":"Hwang","year":"2017","journal-title":"Chem. Soc. Rev."},{"key":"D5RA01549A\/cit11\/1","doi-asserted-by":"crossref","first-page":"336","DOI":"10.1016\/j.jpowsour.2018.05.089","volume":"395","author":"Eftekhari","year":"2018","journal-title":"J. Power Sources"},{"key":"D5RA01549A\/cit12\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/natrevmats.2018.13","volume":"3","author":"Vaalma","year":"2018","journal-title":"Nat. Rev. Mater."},{"key":"D5RA01549A\/cit13\/1","doi-asserted-by":"crossref","first-page":"1700153","DOI":"10.1002\/adsu.201700153","volume":"2","author":"Chen","year":"2018","journal-title":"Adv. Sustainable Syst."},{"key":"D5RA01549A\/cit14\/1","doi-asserted-by":"crossref","first-page":"1512","DOI":"10.1039\/C8EE03727B","volume":"12","author":"Liu","year":"2019","journal-title":"Energy Environ. Sci."},{"key":"D5RA01549A\/cit15\/1","doi-asserted-by":"crossref","first-page":"2000089","DOI":"10.1002\/aenm.202000089","volume":"10","author":"Durmus","year":"2020","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit16\/1","doi-asserted-by":"crossref","first-page":"1473","DOI":"10.1016\/j.scib.2017.10.011","volume":"62","author":"Jiang","year":"2017","journal-title":"Sci. Bull."},{"key":"D5RA01549A\/cit17\/1","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1016\/j.nanoen.2018.07.036","volume":"52","author":"Hou","year":"2018","journal-title":"Nano Energy"},{"key":"D5RA01549A\/cit18\/1","doi-asserted-by":"crossref","first-page":"1703012","DOI":"10.1002\/aenm.201703012","volume":"8","author":"Zhao","year":"2018","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit19\/1","doi-asserted-by":"crossref","first-page":"2181","DOI":"10.1021\/acsenergylett.8b00948","volume":"3","author":"Zhou","year":"2018","journal-title":"ACS Energy Lett."},{"key":"D5RA01549A\/cit20\/1","doi-asserted-by":"crossref","first-page":"1702657","DOI":"10.1002\/aenm.201702657","volume":"8","author":"Fan","year":"2018","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit21\/1","doi-asserted-by":"crossref","first-page":"2693","DOI":"10.1002\/celc.202000164","volume":"7","author":"Ma","year":"2020","journal-title":"ChemElectroChem"},{"key":"D5RA01549A\/cit22\/1","doi-asserted-by":"crossref","first-page":"6637","DOI":"10.1021\/acs.chemmater.2c01475","volume":"34","author":"Thangadurai","year":"2022","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit23\/1","doi-asserted-by":"crossref","first-page":"1075","DOI":"10.1039\/C7EE00524E","volume":"10","author":"Che","year":"2017","journal-title":"Energy Environ. Sci."},{"key":"D5RA01549A\/cit24\/1","doi-asserted-by":"crossref","first-page":"1278","DOI":"10.1038\/s41563-019-0431-3","volume":"18","author":"Famprikis","year":"2019","journal-title":"Nat. Mater."},{"key":"D5RA01549A\/cit25\/1","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1038\/s41565-020-0657-x","volume":"15","author":"Tan","year":"2020","journal-title":"Nat. Nanotechnol."},{"key":"D5RA01549A\/cit26\/1","first-page":"91","volume":"1","author":"Wang","year":"2019","journal-title":"NMS"},{"key":"D5RA01549A\/cit27\/1","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/j.electacta.2012.11.038","volume":"101","author":"Noguchi","year":"2013","journal-title":"Electrochim. Acta"},{"key":"D5RA01549A\/cit28\/1","doi-asserted-by":"crossref","first-page":"975","DOI":"10.1016\/j.jpowsour.2013.09.051","volume":"247","author":"Lal\u00e8re","year":"2014","journal-title":"J. Power Sources"},{"key":"D5RA01549A\/cit29\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-016-0001-8","volume":"6","author":"Song","year":"2016","journal-title":"Sci. Rep."},{"key":"D5RA01549A\/cit30\/1","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1021\/acscentsci.6b00321","volume":"3","author":"Zhou","year":"2017","journal-title":"ACS Cent. Sci."},{"key":"D5RA01549A\/cit31\/1","doi-asserted-by":"crossref","first-page":"1601196","DOI":"10.1002\/aenm.201601196","volume":"7","author":"Zhang","year":"2017","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit32\/1","doi-asserted-by":"crossref","first-page":"104040","DOI":"10.1016\/j.nanoen.2019.104040","volume":"65","author":"Lan","year":"2019","journal-title":"Nano Energy"},{"key":"D5RA01549A\/cit33\/1","doi-asserted-by":"crossref","first-page":"7766","DOI":"10.1039\/C9TA00048H","volume":"7","author":"Ma","year":"2019","journal-title":"J. Mater. Chem."},{"key":"D5RA01549A\/cit34\/1","doi-asserted-by":"crossref","first-page":"A5328","DOI":"10.1149\/2.0491903jes","volume":"166","author":"Kehne","year":"2019","journal-title":"J. Electrochem. Soc."},{"key":"D5RA01549A\/cit35\/1","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1016\/j.jpowsour.2018.10.089","volume":"409","author":"Kehne","year":"2019","journal-title":"J. Power Sources"},{"key":"D5RA01549A\/cit36\/1","doi-asserted-by":"crossref","first-page":"1901205","DOI":"10.1002\/aenm.201901205","volume":"9","author":"Lu","year":"2019","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit37\/1","doi-asserted-by":"crossref","first-page":"5064","DOI":"10.1021\/acsami.8b19519","volume":"11","author":"Matios","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D5RA01549A\/cit38\/1","doi-asserted-by":"crossref","first-page":"7427","DOI":"10.1021\/acsaem.0c00820","volume":"3","author":"Zhang","year":"2020","journal-title":"ACS Appl. Energy Mater."},{"key":"D5RA01549A\/cit39\/1","doi-asserted-by":"crossref","first-page":"2835","DOI":"10.1021\/acsenergylett.0c01432","volume":"5","author":"Yang","year":"2020","journal-title":"ACS Energy Lett."},{"key":"D5RA01549A\/cit40\/1","doi-asserted-by":"crossref","first-page":"777","DOI":"10.1021\/acsaem.1c03254","volume":"5","author":"Wang","year":"2021","journal-title":"ACS Appl. Energy Mater."},{"key":"D5RA01549A\/cit41\/1","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1007\/BF01145507","volume":"21","author":"Alamo","year":"1986","journal-title":"J. Mater. Sci."},{"key":"D5RA01549A\/cit42\/1","doi-asserted-by":"crossref","first-page":"2821","DOI":"10.1007\/s10853-011-5302-5","volume":"46","author":"Anantharamulu","year":"2011","journal-title":"J. Mater. Sci."},{"key":"D5RA01549A\/cit43\/1","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/j.ensm.2020.09.007","volume":"34","author":"Rajagopalan","year":"2021","journal-title":"Energy Storage Mater."},{"key":"D5RA01549A\/cit44\/1","doi-asserted-by":"crossref","first-page":"1035","DOI":"10.1002\/celc.202001527","volume":"8","author":"Yang","year":"2021","journal-title":"ChemElectroChem"},{"key":"D5RA01549A\/cit45\/1","doi-asserted-by":"crossref","first-page":"115671","DOI":"10.1016\/j.ssi.2021.115671","volume":"366","author":"Rao","year":"2021","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit46\/1","first-page":"396","volume":"1","author":"Li","year":"2022","journal-title":"Interdiscip. Mater."},{"key":"D5RA01549A\/cit47\/1","first-page":"91","volume":"2","author":"Zhang","year":"2023","journal-title":"Interdiscip. Mater."},{"key":"D5RA01549A\/cit48\/1","doi-asserted-by":"crossref","first-page":"5289","DOI":"10.1007\/s11581-022-04765-3","volume":"28","author":"Singh","year":"2022","journal-title":"Ionics"},{"key":"D5RA01549A\/cit49\/1","doi-asserted-by":"crossref","first-page":"1056","DOI":"10.1016\/j.jpowsour.2014.09.137","volume":"273","author":"Guin","year":"2015","journal-title":"J. Power Sources"},{"key":"D5RA01549A\/cit50\/1","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1016\/0025-5408(76)90073-8","volume":"11","author":"Hong","year":"1976","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit51\/1","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1016\/0025-5408(76)90077-5","volume":"11","author":"Goodenough","year":"1976","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit52\/1","doi-asserted-by":"crossref","first-page":"1469","DOI":"10.1016\/0025-5408(79)90091-6","volume":"14","author":"Boilot","year":"1979","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit53\/1","doi-asserted-by":"crossref","first-page":"1317","DOI":"10.1016\/0025-5408(79)90010-2","volume":"14","author":"von Alpen","year":"1979","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit54\/1","doi-asserted-by":"crossref","first-page":"944","DOI":"10.1016\/0167-2738(86)90291-2","volume":"18","author":"Didisheim","year":"1986","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit55\/1","doi-asserted-by":"crossref","first-page":"935","DOI":"10.1016\/0167-2738(86)90290-0","volume":"18","author":"Baur","year":"1986","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit56\/1","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/0040-6031(86)85116-4","volume":"106","author":"Feist","year":"1986","journal-title":"Thermochim. Acta"},{"key":"D5RA01549A\/cit57\/1","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1016\/0025-5408(87)90116-4","volume":"22","author":"Boilot","year":"1987","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit58\/1","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1016\/0022-4596(88)90065-5","volume":"73","author":"Boilot","year":"1988","journal-title":"J. Solid State Chem."},{"key":"D5RA01549A\/cit59\/1","doi-asserted-by":"crossref","first-page":"1822","DOI":"10.3891\/acta.chem.scand.22-1822","volume":"22","author":"Hagman","year":"1968","journal-title":"Acta Chem. Scand."},{"key":"D5RA01549A\/cit60\/1","doi-asserted-by":"crossref","first-page":"4470","DOI":"10.1038\/s41467-022-32190-7","volume":"13","author":"Deng","year":"2022","journal-title":"Nat. Commun."},{"key":"D5RA01549A\/cit61\/1","doi-asserted-by":"crossref","first-page":"7081","DOI":"10.1021\/jp020287h","volume":"106","author":"Kumar","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"D5RA01549A\/cit62\/1","doi-asserted-by":"crossref","first-page":"4946","DOI":"10.1007\/s10853-012-6369-3","volume":"47","author":"Roy","year":"2012","journal-title":"J. Mater. Sci."},{"key":"D5RA01549A\/cit63\/1","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/j.ssi.2013.09.030","volume":"253","author":"Roy","year":"2013","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit64\/1","doi-asserted-by":"crossref","first-page":"7908","DOI":"10.1021\/acs.chemmater.0c02695","volume":"32","author":"Deng","year":"2020","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit65\/1","doi-asserted-by":"crossref","first-page":"2001486","DOI":"10.1002\/aenm.202001486","volume":"10","author":"Zou","year":"2020","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit66\/1","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/0022-4596(81)90335-2","volume":"39","author":"Qui","year":"1981","journal-title":"J. Solid State Chem."},{"key":"D5RA01549A\/cit67\/1","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1016\/0025-5408(81)90044-1","volume":"16","author":"Delmas","year":"1981","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit68\/1","doi-asserted-by":"crossref","first-page":"15893","DOI":"10.1038\/ncomms15893","volume":"8","author":"He","year":"2017","journal-title":"Nat. Commun."},{"key":"D5RA01549A\/cit69\/1","doi-asserted-by":"crossref","first-page":"8983","DOI":"10.1021\/acs.chemmater.7b01703","volume":"29","author":"Noda","year":"2017","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit70\/1","doi-asserted-by":"crossref","first-page":"60702","DOI":"10.1063\/1.5033460","volume":"6","author":"Noda","year":"2018","journal-title":"APL Mater."},{"key":"D5RA01549A\/cit71\/1","doi-asserted-by":"crossref","first-page":"15476","DOI":"10.1021\/ja305366r","volume":"134","author":"Shi","year":"2012","journal-title":"J. Am. Chem. Soc."},{"key":"D5RA01549A\/cit72\/1","doi-asserted-by":"crossref","first-page":"4965","DOI":"10.1039\/c3cp43376e","volume":"15","author":"Roy","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5RA01549A\/cit73\/1","doi-asserted-by":"crossref","first-page":"1902373","DOI":"10.1002\/aenm.201902373","volume":"9","author":"Zhang","year":"2019","journal-title":"Adv. Energy Mater."},{"key":"D5RA01549A\/cit74\/1","doi-asserted-by":"crossref","first-page":"2107747","DOI":"10.1002\/adfm.202107747","volume":"31","author":"Zou","year":"2021","journal-title":"Adv. Funct. Mater."},{"key":"D5RA01549A\/cit75\/1","doi-asserted-by":"crossref","first-page":"1143","DOI":"10.1016\/0025-5408(83)90158-7","volume":"18","author":"Kohler","year":"1983","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit76\/1","doi-asserted-by":"crossref","first-page":"1461","DOI":"10.1016\/0025-5408(85)90164-3","volume":"20","author":"Kohler","year":"1985","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit77\/1","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/0025-5408(86)90025-5","volume":"21","author":"Kohler","year":"1986","journal-title":"Mater. Res. Bull."},{"key":"D5RA01549A\/cit78\/1","doi-asserted-by":"crossref","first-page":"665","DOI":"10.1021\/cm970648j","volume":"10","author":"Losilla","year":"1998","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit79\/1","doi-asserted-by":"crossref","first-page":"27814","DOI":"10.1021\/acsami.6b09992","volume":"8","author":"Park","year":"2016","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D5RA01549A\/cit80\/1","doi-asserted-by":"crossref","first-page":"1057","DOI":"10.1111\/jace.15988","volume":"102","author":"Naqash","year":"2019","journal-title":"J. Am. Ceram. Soc."},{"key":"D5RA01549A\/cit81\/1","doi-asserted-by":"crossref","first-page":"4821","DOI":"10.1021\/acs.chemmater.6b02059","volume":"28","author":"Ma","year":"2016","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit82\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-018-30478-7","volume":"8","author":"Lunghammer","year":"2018","journal-title":"Sci. Rep."},{"key":"D5RA01549A\/cit83\/1","doi-asserted-by":"crossref","first-page":"1449","DOI":"10.1021\/acs.jpcc.6b10523","volume":"121","author":"Kaus","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"D5RA01549A\/cit84\/1","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1016\/j.ssi.2016.06.005","volume":"293","author":"Guin","year":"2016","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit85\/1","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.solidstatesciences.2017.03.005","volume":"67","author":"Guin","year":"2017","journal-title":"Solid State Sci."},{"key":"D5RA01549A\/cit86\/1","doi-asserted-by":"crossref","first-page":"9161","DOI":"10.1021\/acs.jpcc.0c00543","volume":"124","author":"Pal","year":"2020","journal-title":"J. Phys. Chem. C"},{"key":"D5RA01549A\/cit87\/1","doi-asserted-by":"crossref","first-page":"4008","DOI":"10.1007\/BF00582473","volume":"25","author":"Winand","year":"1990","journal-title":"J. Mater. Sci."},{"key":"D5RA01549A\/cit88\/1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/0167-2738(88)90285-8","volume":"31","author":"Squattrito","year":"1988","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit89\/1","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1016\/0022-3697(86)90055-7","volume":"47","author":"Collin","year":"1986","journal-title":"J. Phys. Chem. Solids"},{"key":"D5RA01549A\/cit90\/1","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1016\/0022-4596(85)90109-4","volume":"60","author":"Subramanian","year":"1985","journal-title":"J. Solid State Chem."},{"key":"D5RA01549A\/cit91\/1","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1016\/0167-2738(83)90099-1","volume":"9","author":"Susman","year":"1983","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit92\/1","doi-asserted-by":"crossref","first-page":"35003","DOI":"10.1088\/2515-7655\/ab71ec","volume":"2","author":"Ladenstein","year":"2020","journal-title":"JPhys Energy"},{"key":"D5RA01549A\/cit93\/1","doi-asserted-by":"crossref","first-page":"2102129","DOI":"10.1002\/adfm.202102129","volume":"31","author":"Sun","year":"2021","journal-title":"Adv. Funct. Mater."},{"key":"D5RA01549A\/cit94\/1","doi-asserted-by":"crossref","first-page":"115277","DOI":"10.1016\/j.ssi.2020.115277","volume":"348","author":"Zinkevich","year":"2020","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit95\/1","doi-asserted-by":"crossref","first-page":"5954","DOI":"10.1021\/acs.chemrev.9b00747","volume":"120","author":"Gao","year":"2020","journal-title":"Chem. Rev."},{"key":"D5RA01549A\/cit96\/1","doi-asserted-by":"crossref","first-page":"6977","DOI":"10.1021\/acs.chemrev.9b00601","volume":"120","author":"van der Ven","year":"2020","journal-title":"Chem. Rev."},{"key":"D5RA01549A\/cit97\/1","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1038\/s41524-018-0074-y","volume":"4","author":"He","year":"2018","journal-title":"npj Comput. Mater."},{"key":"D5RA01549A\/cit98\/1","doi-asserted-by":"crossref","first-page":"2768","DOI":"10.21105\/joss.02768","volume":"6","author":"Kobayashi","year":"2021","journal-title":"J. Open Source Softw."},{"key":"D5RA01549A\/cit99\/1","doi-asserted-by":"crossref","first-page":"81111","DOI":"10.1063\/5.0015373","volume":"8","author":"Kobayashi","year":"2020","journal-title":"APL Mater."},{"key":"D5RA01549A\/cit100\/1","doi-asserted-by":"crossref","first-page":"5845","DOI":"10.1038\/s41598-018-23852-y","volume":"8","author":"Jalem","year":"2018","journal-title":"Sci. Rep."},{"key":"D5RA01549A\/cit101\/1","doi-asserted-by":"crossref","first-page":"2100525","DOI":"10.1002\/pssb.202100525","volume":"259","author":"Atsumi","year":"2022","journal-title":"Phys. Status Solidi B"},{"key":"D5RA01549A\/cit102\/1","doi-asserted-by":"crossref","first-page":"31103","DOI":"10.1039\/D4TA04809A","volume":"12","author":"Sekine","year":"2024","journal-title":"J. Mater. Chem."},{"key":"D5RA01549A\/cit103\/1","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1016\/j.ensm.2021.05.033","volume":"40","author":"Zhao","year":"2021","journal-title":"Energy Storage Mater."},{"key":"D5RA01549A\/cit104\/1","doi-asserted-by":"crossref","first-page":"1401","DOI":"10.1016\/j.scib.2021.04.029","volume":"66","author":"Zhao","year":"2021","journal-title":"Sci. Bull."},{"key":"D5RA01549A\/cit105\/1","doi-asserted-by":"crossref","first-page":"2991","DOI":"10.1038\/s41467-022-30687-9","volume":"13","author":"Takamoto","year":"2022","journal-title":"Nat. Commun."},{"key":"D5RA01549A\/cit106\/1","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1038\/s43246-024-00595-0","volume":"5","author":"Iwasaki","year":"2024","journal-title":"Commun. Mater."},{"key":"D5RA01549A\/cit107\/1","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1038\/s41524-024-01227-4","volume":"10","author":"Qi","year":"2024","journal-title":"npj Comput. Mater."},{"key":"D5RA01549A\/cit108\/1","doi-asserted-by":"crossref","first-page":"718","DOI":"10.1038\/s43588-022-00349-3","volume":"2","author":"Chen","year":"2022","journal-title":"Nat. Comput. Sci."},{"key":"D5RA01549A\/cit109\/1","doi-asserted-by":"crossref","first-page":"4471","DOI":"10.1007\/s10008-024-05862-1","volume":"28","author":"Makino","year":"2024","journal-title":"J. Solid State Electrochem."},{"key":"D5RA01549A\/cit110\/1","doi-asserted-by":"crossref","first-page":"23837","DOI":"10.1039\/D4TA03452J","volume":"12","author":"Kwon","year":"2024","journal-title":"J. Mater. Chem."},{"key":"D5RA01549A\/cit111\/1","first-page":"273002","volume":"29","author":"Hjorth Larsen","year":"2017","journal-title":"J. Phys.:Condens. Matter"},{"key":"D5RA01549A\/cit112\/1","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1107\/S2052520618015718","volume":"75","author":"Chen","year":"2019","journal-title":"Acta Crystallogr., Sect. B"},{"key":"D5RA01549A\/cit113\/1","doi-asserted-by":"crossref","first-page":"614","DOI":"10.1107\/S2052252517010211","volume":"4","author":"Chen","year":"2017","journal-title":"IUCrJ"},{"key":"D5RA01549A\/cit114\/1","doi-asserted-by":"crossref","first-page":"5262","DOI":"10.1103\/PhysRevB.31.5262","volume":"31","author":"Stillinger","year":"1985","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5RA01549A\/cit115\/1","doi-asserted-by":"crossref","first-page":"23604","DOI":"10.1021\/acs.jpcc.1c07314","volume":"125","author":"Nakano","year":"2021","journal-title":"J. Phys. Chem. C"},{"key":"D5RA01549A\/cit116\/1","doi-asserted-by":"crossref","first-page":"115662","DOI":"10.1016\/j.ssi.2021.115662","volume":"366","author":"Yang","year":"2021","journal-title":"Solid State Ionics"},{"key":"D5RA01549A\/cit117\/1","doi-asserted-by":"crossref","first-page":"16672","DOI":"10.1038\/s41598-022-20289-2","volume":"12","author":"Miyakawa","year":"2022","journal-title":"Sci. Rep."},{"key":"D5RA01549A\/cit118\/1","doi-asserted-by":"crossref","first-page":"3035","DOI":"10.1111\/jace.18991","volume":"106","author":"Aizu","year":"2023","journal-title":"J. Am. Ceram. Soc."},{"key":"D5RA01549A\/cit119\/1","first-page":"210","volume-title":"IEEE","author":"Yang","unstructured":"X.-S.Yang  and  S.Deb , in  2009 World congress on nature & biologically inspired computing (NaBIC) ,  IEEE , pp. ,  pp. 210\u2013214"},{"key":"D5RA01549A\/cit120\/1","first-page":"330","volume":"1","author":"Yang","year":"2010","journal-title":"Int. J. Math. Model. Numer. Optim."},{"key":"D5RA01549A\/cit121\/1","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1007\/s00521-013-1367-1","volume":"24","author":"Yang","year":"2014","journal-title":"Neural Comput. Appl."},{"key":"D5RA01549A\/cit122\/1","doi-asserted-by":"crossref","first-page":"3609","DOI":"10.1080\/03610929408831468","volume":"23","author":"Rodrigues","year":"1994","journal-title":"Commun. Stat. Theor. Methods"},{"key":"D5RA01549A\/cit123\/1","doi-asserted-by":"crossref","first-page":"B864","DOI":"10.1103\/PhysRev.136.B864","volume":"136","author":"Hohenberg","year":"1964","journal-title":"Phys. Rev."},{"key":"D5RA01549A\/cit124\/1","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn","year":"1965","journal-title":"Phys. Rev."},{"key":"D5RA01549A\/cit125\/1","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1103\/PhysRevB.47.558","volume":"47","author":"Kresse","year":"1993","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5RA01549A\/cit126\/1","first-page":"8245","volume":"6","author":"Kresse","year":"1994","journal-title":"J. Phys.:Condens. Matter"},{"key":"D5RA01549A\/cit127\/1","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5RA01549A\/cit128\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mater. Sci."},{"key":"D5RA01549A\/cit129\/1","doi-asserted-by":"crossref","first-page":"1196","DOI":"10.1103\/PhysRevLett.45.1196","volume":"45","author":"Parrinello","year":"1980","journal-title":"Phys. Rev. Lett."},{"key":"D5RA01549A\/cit130\/1","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","volume":"52","author":"Parrinello","year":"1981","journal-title":"J. Appl. Phys."},{"key":"D5RA01549A\/cit131\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D5RA01549A\/cit132\/1","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5RA01549A\/cit133\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D5RA01549A\/cit134\/1","doi-asserted-by":"crossref","first-page":"5188","DOI":"10.1103\/PhysRevB.13.5188","volume":"13","author":"Monkhorst","year":"1976","journal-title":"Phys. Rev. B"},{"key":"D5RA01549A\/cit135\/1","doi-asserted-by":"crossref","first-page":"9160","DOI":"10.1039\/D3TA00440F","volume":"11","author":"Schuett","year":"2023","journal-title":"J. Mater. Chem."},{"key":"D5RA01549A\/cit136\/1","doi-asserted-by":"crossref","first-page":"22154","DOI":"10.1039\/D2CP03621E","volume":"24","author":"Schuett","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5RA01549A\/cit137\/1","doi-asserted-by":"crossref","first-page":"2618","DOI":"10.1021\/acs.chemmater.7b05237","volume":"30","author":"Deng","year":"2018","journal-title":"Chem. Mater."},{"key":"D5RA01549A\/cit138\/1","doi-asserted-by":"crossref","first-page":"11780","DOI":"10.1021\/jp0611018","volume":"110","author":"Pedone","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"D5RA01549A\/cit139\/1","doi-asserted-by":"crossref","first-page":"1347","DOI":"10.1002\/jcc.27090","volume":"44","author":"Usler","year":"2023","journal-title":"J. Comput. Chem."},{"key":"D5RA01549A\/cit140\/1","first-page":"1232","volume-title":"IEEE Power Engineering Society General Meeting","volume":"2","author":"Bito","year":"2005","unstructured":"A.Bito , in  IEEE Power Engineering Society General Meeting ,  2005 ,  vol. 2 ,  pp. 1232\u20131235"}],"container-title":["RSC Advances"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/RA\/D5RA01549A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T17:38:25Z","timestamp":1782927505000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/ra\/article\/15\/23\/18224-18236\/906446"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":140,"journal-issue":{"issue":"23","published-print":{"date-parts":[[2025,5,29]]}},"URL":"https:\/\/doi.org\/10.1039\/d5ra01549a","relation":{},"ISSN":["2046-2069"],"issn-type":[{"value":"2046-2069","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}