{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T21:13:29Z","timestamp":1788383609131,"version":"build-2803163510"},"reference-count":66,"publisher":"Royal Society of Chemistry (RSC)","issue":"34","license":[{"start":{"date-parts":[[2027,8,17]],"date-time":"2027-08-17T00:00:00Z","timestamp":1818460800000},"content-version":"am","delay-in-days":593,"URL":"http:\/\/rsc.li\/journals-terms-of-use#chorus"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["2137603"],"award-info":[{"award-number":["2137603"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["2138259"],"award-info":[{"award-number":["2138259"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["2138286"],"award-info":[{"award-number":["2138286"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["2138296"],"award-info":[{"award-number":["2138296"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["2138307"],"award-info":[{"award-number":["2138307"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>AIMD simulations show that Y doping reduces oxygen conductivity in BCFZY PCFC cathodes through increased oxygen migration barriers. Grain boundary transport is proposed as the dominant limitation in experimental oxygen transport.<\/jats:p>","DOI":"10.1039\/d5cp04074d","type":"journal-article","created":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T08:36:09Z","timestamp":1786955769000},"page":"20805-20815","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Effects of yttrium doping on oxygen conductivity in Ba(Fe, Co, Zr, Y)O\n                    <sub>\n                      3\u2212\n                      <i>\u03b4<\/i>\n                    <\/sub>\n                    cathode materials for proton ceramic fuel cells"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-8440-7701","authenticated-orcid":false,"given":"Chiyoung","family":"Kim","sequence":"first","affiliation":[{"name":"Department of Materials Science and Engineering, University of Wisconsin \u2013 Madison, Madison, Wisconsin 54706, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2229-6730","authenticated-orcid":false,"given":"Ryan","family":"Jacobs","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, University of Wisconsin \u2013 Madison, Madison, Wisconsin 54706, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1102-9020","authenticated-orcid":false,"given":"Jack H.","family":"Duffy","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2219-1253","authenticated-orcid":false,"given":"Kyle S.","family":"Brinkman","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Harry W.","family":"Abernathy","sequence":"additional","affiliation":[{"name":"National Energy Technology Laboratory, United States Department of Energy, Morgantown, West Virginia 26507, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dane","family":"Morgan","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, University of Wisconsin \u2013 Madison, Madison, Wisconsin 54706, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP04074D\/cit1\/1","doi-asserted-by":"publisher","first-page":"594","DOI":"10.1002\/er.4907","volume":"44","author":"Zakaria","year":"2020","journal-title":"Int. J. Energy Res."},{"key":"D5CP04074D\/cit2\/1","doi-asserted-by":"publisher","first-page":"1503","DOI":"10.1149\/09101.1503ecst","volume":"91","author":"Saqib","year":"2019","journal-title":"ECS Trans."},{"key":"D5CP04074D\/cit3\/1","doi-asserted-by":"publisher","first-page":"65","DOI":"10.1016\/j.jpowsour.2017.09.024","volume":"369","author":"Dubois","year":"2017","journal-title":"J. Power Sources"},{"key":"D5CP04074D\/cit4\/1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.202201882","volume":"12","author":"Wang","year":"2022","journal-title":"Adv. Energy Mater."},{"key":"D5CP04074D\/cit5\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpowsour.2024.234411","volume":"603","author":"Szaro","year":"2024","journal-title":"J. Power Sources"},{"issue":"2015","key":"D5CP04074D\/cit6\/1","doi-asserted-by":"publisher","first-page":"1321","DOI":"10.1126\/science.aab3987","volume":"349","author":"Duan","year":"1979","journal-title":"Science"},{"key":"D5CP04074D\/cit7\/1","doi-asserted-by":"publisher","first-page":"1408","DOI":"10.1039\/d0ee00092b","volume":"13","author":"Ji","year":"2020","journal-title":"Energy Environ. Sci."},{"key":"D5CP04074D\/cit8\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.nanoen.2024.109306","volume":"122","author":"Yuan","year":"2024","journal-title":"Nano Energy"},{"key":"D5CP04074D\/cit9\/1","doi-asserted-by":"publisher","first-page":"15769","DOI":"10.1039\/c3ra41828f","volume":"3","author":"Shang","year":"2013","journal-title":"RSC Adv."},{"key":"D5CP04074D\/cit10\/1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/S0376-7388(02)00005-4","volume":"203","author":"Tong","year":"2002","journal-title":"J. Membr. Sci."},{"key":"D5CP04074D\/cit11\/1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202311426","author":"Oh","year":"2023","journal-title":"Adv. Funct. Mater."},{"key":"D5CP04074D\/cit12\/1","doi-asserted-by":"publisher","first-page":"9739","DOI":"10.1021\/acs.jpcc.7b02163","volume":"121","author":"Gilardi","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"D5CP04074D\/cit13\/1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-matsci-091819","author":"Merkle","year":"2021","journal-title":"Annu. Rev. Mater. Res."},{"key":"D5CP04074D\/cit14\/1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.202201203","volume":"12","author":"Jacobs","year":"2022","journal-title":"Adv. Energy Mater."},{"key":"D5CP04074D\/cit15\/1","doi-asserted-by":"publisher","first-page":"1185","DOI":"10.1007\/s11581-021-03914-4","volume":"27","author":"Wang","year":"2021","journal-title":"Ionics"},{"key":"D5CP04074D\/cit16\/1","doi-asserted-by":"publisher","first-page":"23948","DOI":"10.1016\/j.ceramint.2019.08.096","volume":"45","author":"Lv","year":"2019","journal-title":"Ceram. Int."},{"key":"D5CP04074D\/cit17\/1","doi-asserted-by":"publisher","first-page":"64","DOI":"10.1016\/j.ssi.2016.09.012","volume":"299","author":"Zohourian","year":"2017","journal-title":"Solid State Ionics"},{"key":"D5CP04074D\/cit18\/1","doi-asserted-by":"publisher","first-page":"15769","DOI":"10.1039\/c3ra41828f","volume":"3","author":"Shang","year":"2013","journal-title":"RSC Adv."},{"key":"D5CP04074D\/cit19\/1","doi-asserted-by":"publisher","first-page":"221","DOI":"10.1016\/j.jallcom.2018.08.232","volume":"771","author":"Zhang","year":"2019","journal-title":"J. Alloys Compd."},{"key":"D5CP04074D\/cit20\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpowsour.2020.227971","volume":"455","author":"Qi","year":"2020","journal-title":"J. Power Sources"},{"key":"D5CP04074D\/cit21\/1","doi-asserted-by":"publisher","first-page":"176","DOI":"10.1039\/c6ee01915c","volume":"10","author":"Duan","year":"2017","journal-title":"Energy Environ. Sci."},{"key":"D5CP04074D\/cit22\/1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.4c03528","author":"Wang","year":"2024","journal-title":"J. Phys. Chem. C"},{"key":"D5CP04074D\/cit23\/1","doi-asserted-by":"publisher","first-page":"18365","DOI":"10.1039\/c9ta04335g","volume":"7","author":"Ren","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"D5CP04074D\/cit24\/1","doi-asserted-by":"publisher","first-page":"8929","DOI":"10.1039\/d3ta00654a","volume":"11","author":"Duffy","year":"2023","journal-title":"J. Mater. Chem. A"},{"key":"D5CP04074D\/cit25\/1","doi-asserted-by":"publisher","DOI":"10.3390\/membranes11100766","volume":"11","author":"Duffy","year":"2021","journal-title":"Membranes"},{"key":"D5CP04074D\/cit26\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2020.127717","volume":"420","author":"Liang","year":"2021","journal-title":"Chem. Eng. J."},{"key":"D5CP04074D\/cit27\/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"},{"key":"D5CP04074D\/cit28\/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":"D5CP04074D\/cit29\/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":"D5CP04074D\/cit30\/1","first-page":"767","volume":"9","author":"Anisimov","year":"1997","journal-title":"J. Phys.: Condens. Matter"},{"key":"D5CP04074D\/cit31\/1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.115.036402","volume":"115","author":"Sun","year":"2015","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04074D\/cit32\/1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D5CP04074D\/cit33\/1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4812323","volume":"1","author":"Jain","year":"2013","journal-title":"APL Mater."},{"key":"D5CP04074D\/cit34\/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"},{"key":"D5CP04074D\/cit35\/1","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","volume":"31","author":"Hoover","year":"1985","journal-title":"Phys. Rev. A"},{"key":"D5CP04074D\/cit36\/1","doi-asserted-by":"publisher","DOI":"10.1143\/PTPS.103.1\/1894286","volume":"103","author":"Nose","year":"1991","journal-title":"Prog. Theor. Phys. Suppl."},{"key":"D5CP04074D\/cit37\/1","doi-asserted-by":"publisher","first-page":"144","DOI":"10.1080\/14686996.2019.1578183","volume":"20","author":"Lee","year":"2019","journal-title":"Sci. Technol. Adv. Mater."},{"key":"D5CP04074D\/cit38\/1","doi-asserted-by":"publisher","first-page":"14154","DOI":"10.1039\/c4ta01593b","volume":"2","author":"Chen","year":"2014","journal-title":"J. Mater. Chem. A"},{"key":"D5CP04074D\/cit39\/1","doi-asserted-by":"publisher","first-page":"261","DOI":"10.1038\/s41592-019-0686-2","volume":"17","author":"Virtanen","year":"2020","journal-title":"Nat. Methods"},{"key":"D5CP04074D\/cit40\/1","doi-asserted-by":"publisher","first-page":"357","DOI":"10.1038\/s41586-020-2649-2","volume":"585","author":"Harris","year":"2020","journal-title":"Nature"},{"key":"D5CP04074D\/cit41\/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":"D5CP04074D\/cit42\/1","doi-asserted-by":"publisher","DOI":"10.1039\/d4ta06417h","author":"Duffy","year":"2025","journal-title":"J. Mater. Chem. A"},{"key":"D5CP04074D\/cit43\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ssi.2025.116962","volume":"429","author":"Shin","year":"2025","journal-title":"Solid State Ionics"},{"key":"D5CP04074D\/cit44\/1","doi-asserted-by":"publisher","first-page":"11368","DOI":"10.1016\/j.ceramint.2022.11.336","volume":"49","author":"Alam","year":"2023","journal-title":"Ceram. Int."},{"key":"D5CP04074D\/cit45\/1","doi-asserted-by":"publisher","first-page":"510","DOI":"10.1021\/acs.chemmater.0c04765","volume":"34","author":"Millican","year":"2022","journal-title":"Chem. Mater."},{"key":"D5CP04074D\/cit46\/1","doi-asserted-by":"publisher","first-page":"301","DOI":"10.1038\/s41563-020-00854-8","volume":"20","author":"Papac","year":"2021","journal-title":"Nat. Mater."},{"key":"D5CP04074D\/cit47\/1","doi-asserted-by":"crossref","first-page":"2565","DOI":"10.1111\/j.1151-2916.1998.tb02662.x","volume":"81","author":"Huang","year":"1998","journal-title":"J. Am. Ceram. Soc."},{"key":"D5CP04074D\/cit48\/1","doi-asserted-by":"crossref","first-page":"3099","DOI":"10.1021\/jp972819d","volume":"102","author":"Khan","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"D5CP04074D\/cit49\/1","doi-asserted-by":"publisher","first-page":"126","DOI":"10.1016\/S0022-4596(03)00337-2","volume":"177","author":"Cheng","year":"2004","journal-title":"J. Solid State Chem."},{"key":"D5CP04074D\/cit50\/1","doi-asserted-by":"publisher","first-page":"3242","DOI":"10.1557\/jmr.2006.0400","volume":"21","author":"Chen","year":"2006","journal-title":"J. Mater. Res."},{"key":"D5CP04074D\/cit51\/1","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1016\/j.ssi.2012.08.017","volume":"227","author":"Buyukkilic","year":"2012","journal-title":"Solid State Ionics"},{"key":"D5CP04074D\/cit52\/1","doi-asserted-by":"publisher","first-page":"4142","DOI":"10.1111\/j.1551-2916.2010.04001.x","volume":"93","author":"Aizenshtein","year":"2010","journal-title":"J. Am. Ceram. Soc."},{"key":"D5CP04074D\/cit53\/1","doi-asserted-by":"publisher","first-page":"685","DOI":"10.1080\/01418618208236198","volume":"45","author":"Murch","year":"1982","journal-title":"Philos. Mag. A"},{"key":"D5CP04074D\/cit54\/1","doi-asserted-by":"publisher","first-page":"1169","DOI":"10.1111\/j.1151-2916.1996.tb08569.x","volume":"79","author":"Aoki","year":"1996","journal-title":"J. Am. Ceram. Soc."},{"key":"D5CP04074D\/cit55\/1","doi-asserted-by":"crossref","first-page":"893","DOI":"10.1007\/BF01729264","volume":"5","author":"Leach","year":"1986","journal-title":"J. Mater. Sci. Lett."},{"key":"D5CP04074D\/cit56\/1","doi-asserted-by":"publisher","first-page":"E121","DOI":"10.1149\/1.1348267","volume":"148","author":"Guo","year":"2001","journal-title":"J. Electrochem. Soc."},{"key":"D5CP04074D\/cit57\/1","doi-asserted-by":"publisher","first-page":"251","DOI":"10.1016\/j.memsci.2016.01.005","volume":"504","author":"Yao","year":"2016","journal-title":"J. Membr. Sci."},{"key":"D5CP04074D\/cit58\/1","doi-asserted-by":"publisher","first-page":"53","DOI":"10.1016\/j.mseb.2019.05.027","volume":"246","author":"Karuppaiah","year":"2019","journal-title":"Mater. Sci. Eng. B"},{"key":"D5CP04074D\/cit59\/1","doi-asserted-by":"publisher","first-page":"2191","DOI":"10.1016\/j.jeurceramsoc.2005.03.028","volume":"25","author":"Diethelm","year":"2005","journal-title":"J. Eur. Ceram. Soc."},{"key":"D5CP04074D\/cit60\/1","doi-asserted-by":"publisher","first-page":"11272","DOI":"10.1039\/d1cp01099a","volume":"23","author":"Porotnikova","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04074D\/cit61\/1","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1016\/j.pmatsci.2005.07.001","volume":"51","author":"Guo","year":"2006","journal-title":"Prog. Mater. Sci."},{"key":"D5CP04074D\/cit62\/1","doi-asserted-by":"publisher","first-page":"641","DOI":"10.1111\/j.1151-2916.1986.tb07464.x","volume":"69","author":"Gerhardt","year":"1986","journal-title":"J. Am. Ceram. Soc."},{"key":"D5CP04074D\/cit63\/1","doi-asserted-by":"publisher","first-page":"F569","DOI":"10.1149\/2.0151910jes","volume":"166","author":"Chen","year":"2019","journal-title":"J. Electrochem. Soc."},{"key":"D5CP04074D\/cit64\/1","doi-asserted-by":"publisher","first-page":"173","DOI":"10.1145\/3569951.3597559","volume-title":"PEARC 2023 \u2013 Computing for the Common Good: Practice and Experience in Advanced Research Computing","author":"Boerner","year":"2023","unstructured":"T. J.Boerner ,  S.Deems ,  T. R.Furlani ,  S. L.Knuth  and  J.Towns ,  ACCESS: Advancing Innovation: NSF's Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support , in  PEARC 2023 \u2013 Computing for the Common Good: Practice and Experience in Advanced Research Computing ,  Association for Computing Machinery, Inc. ,  2023 ,  pp. 173\u2013176 10.1145\/3569951.3597559"},{"key":"D5CP04074D\/cit65\/1","doi-asserted-by":"publisher","unstructured":"Center for High Throughput Computing,  https:\/\/chtc.cs.wisc.edu\/  (accessed April 09, 2025) 10.21231\/GNT1-HW21","DOI":"10.21231\/GNT1-HW21"},{"key":"D5CP04074D\/cit66\/1","doi-asserted-by":"publisher","unstructured":"Data for \u201cEffects of Yttrium doping on Oxygen Conductivity in Ba(Fe, Co, Zr, Y)O(3 \u2212  \u03b4 ) Cathode Materials for Proton Ceramic Fuel Cells\u201d 10.6084\/m9.figshare.32322183","DOI":"10.6084\/m9.figshare.32322183"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D5CP04074D\/0\/D5CP04074D.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D5CP04074D\/0\/D5CP04074D.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T20:14:12Z","timestamp":1788380052000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D5CP04074D"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":66,"journal-issue":{"issue":"34","published-print":{"date-parts":[[2026,9,2]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp04074d","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D5CP04074D\/v3\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v3\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04074D\/v1\/review1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}