{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,7]],"date-time":"2026-08-07T14:33:43Z","timestamp":1786113223992,"version":"build-2736575974"},"reference-count":46,"publisher":"Royal Society of Chemistry (RSC)","issue":"30","license":[{"start":{"date-parts":[[2027,7,15]],"date-time":"2027-07-15T00:00:00Z","timestamp":1815609600000},"content-version":"am","delay-in-days":560,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100002855","name":"Ministry of Science and Technology of the People's Republic of China","doi-asserted-by":"publisher","award":["2023YFB3003000"],"award-info":[{"award-number":["2023YFB3003000"]}],"id":[{"id":"10.13039\/501100002855","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["12074113"],"award-info":[{"award-number":["12074113"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    This study explores the NRR performance of Ru\/Os-based Heusler alloys\n                    <jats:italic>via<\/jats:italic>\n                    DFT. Ru\n                    <jats:sub>2<\/jats:sub>\n                    HfGa is the best catalyst with \u22120.34 V limiting potential and high selectivity. Ternary charge synergy and atomic size effects yield a cliff-type activity relationship.\n                  <\/jats:p>","DOI":"10.1039\/d6cp02081j","type":"journal-article","created":{"date-parts":[[2026,7,15]],"date-time":"2026-07-15T07:38:03Z","timestamp":1784101083000},"page":"18603-18611","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Ternary synergy and structural effects in Heusler X\n                    <sub>2<\/sub>\n                    YZ (X = Ru, Os) alloys for efficient nitrogen reduction to ammonia"],"prefix":"10.1039","volume":"28","author":[{"given":"GeLiang","family":"Wu","sequence":"first","affiliation":[{"name":"College of Materials Science and Engineering, Hunan University, ChangSha 410082, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jing","family":"Zhou","sequence":"additional","affiliation":[{"name":"College of Materials Science and Engineering, Hunan University, ChangSha 410082, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7273-704X","authenticated-orcid":false,"given":"Dingwang","family":"Yuan","sequence":"additional","affiliation":[{"name":"College of Materials Science and Engineering, Hunan University, ChangSha 410082, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP02081J\/cit1\/1","doi-asserted-by":"crossref","first-page":"612","DOI":"10.1038\/s44160-023-00321-7","volume":"2","author":"Ye","year":"2023","journal-title":"Nat. Synth."},{"key":"D6CP02081J\/cit2\/1","doi-asserted-by":"crossref","first-page":"5437","DOI":"10.1021\/acs.chemrev.9b00659","volume":"120","author":"Qing","year":"2020","journal-title":"Chem. Rev."},{"key":"D6CP02081J\/cit3\/1","doi-asserted-by":"crossref","first-page":"118215","DOI":"10.1016\/j.jenvman.2023.118215","volume":"343","author":"Galusnyak","year":"2023","journal-title":"J. Environ. Manage."},{"key":"D6CP02081J\/cit4\/1","doi-asserted-by":"crossref","first-page":"636","DOI":"10.1038\/ngeo325","volume":"1","author":"Erisman","year":"2008","journal-title":"Nat. Geosci."},{"key":"D6CP02081J\/cit5\/1","doi-asserted-by":"crossref","first-page":"3035","DOI":"10.1039\/D5NA01170A","volume":"8","author":"Jammal","year":"2026","journal-title":"Nanoscale Adv."},{"key":"D6CP02081J\/cit6\/1","doi-asserted-by":"crossref","first-page":"10813","DOI":"10.1021\/acs.iecr.3c01419","volume":"62","author":"Spatolisano","year":"2023","journal-title":"Ind. Eng. Chem. Res."},{"key":"D6CP02081J\/cit7\/1","doi-asserted-by":"crossref","first-page":"10231","DOI":"10.1021\/acssuschemeng.7b02219","volume":"5","author":"Giddey","year":"2017","journal-title":"ACS Sustainable Chem. Eng."},{"key":"D6CP02081J\/cit8\/1","doi-asserted-by":"crossref","first-page":"126562","DOI":"10.1016\/j.jclepro.2021.126562","volume":"296","author":"Cardoso","year":"2021","journal-title":"J. Cleaner Prod."},{"key":"D6CP02081J\/cit9\/1","doi-asserted-by":"crossref","first-page":"3166","DOI":"10.1039\/C9CS00280D","volume":"48","author":"Tang","year":"2019","journal-title":"Chem. Soc. Rev."},{"key":"D6CP02081J\/cit10\/1","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/j.cplett.2014.03.003","volume":"598","author":"Vojvodic","year":"2014","journal-title":"Chem. Phys. Lett."},{"key":"D6CP02081J\/cit11\/1","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/j.joule.2019.10.006","volume":"4","author":"Kyriakou","year":"2020","journal-title":"Joule"},{"key":"D6CP02081J\/cit12\/1","doi-asserted-by":"crossref","first-page":"100860","DOI":"10.1016\/j.pecs.2020.100860","volume":"81","author":"Duan","year":"2020","journal-title":"Prog. Energy Combust. Sci."},{"key":"D6CP02081J\/cit13\/1","doi-asserted-by":"crossref","first-page":"126213","DOI":"10.1016\/j.fuel.2022.126213","volume":"332","author":"Tang","year":"2023","journal-title":"Fuel"},{"key":"D6CP02081J\/cit14\/1","doi-asserted-by":"crossref","first-page":"4731","DOI":"10.1039\/D1TA07613B","volume":"10","author":"Feng","year":"2022","journal-title":"J. Mater. Chem. A"},{"key":"D6CP02081J\/cit15\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jclepro.2013.03.025","volume":"52","author":"Demirci","year":"2013","journal-title":"J. Cleaner Prod."},{"key":"D6CP02081J\/cit16\/1","doi-asserted-by":"crossref","first-page":"2776","DOI":"10.1039\/D2EE00358A","volume":"15","author":"Ren","year":"2022","journal-title":"Energy Environ. Sci."},{"key":"D6CP02081J\/cit17\/1","doi-asserted-by":"crossref","first-page":"846","DOI":"10.1016\/j.joule.2018.04.014","volume":"2","author":"Deng","year":"2018","journal-title":"Joule"},{"key":"D6CP02081J\/cit18\/1","doi-asserted-by":"crossref","first-page":"2308979","DOI":"10.1002\/advs.202308979","volume":"11","author":"Mu","year":"2024","journal-title":"Adv. Sci."},{"key":"D6CP02081J\/cit19\/1","doi-asserted-by":"crossref","first-page":"8936","DOI":"10.1021\/acscatal.2c02629","volume":"12","author":"Chen","year":"2022","journal-title":"ACS Catal."},{"key":"D6CP02081J\/cit20\/1","doi-asserted-by":"crossref","first-page":"1235","DOI":"10.1039\/C1CP22271F","volume":"14","author":"Sk\u00falason","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP02081J\/cit21\/1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1021\/acsphyschemau.1c00021","volume":"2","author":"Das","year":"2021","journal-title":"ACS Phys. Chem. Au"},{"key":"D6CP02081J\/cit22\/1","doi-asserted-by":"crossref","first-page":"131843","DOI":"10.1016\/j.cej.2021.131843","volume":"426","author":"Cui","year":"2021","journal-title":"Chem. Eng. J."},{"key":"D6CP02081J\/cit23\/1","doi-asserted-by":"crossref","first-page":"4525","DOI":"10.1002\/cssc.202101462","volume":"14","author":"Shi","year":"2021","journal-title":"ChemSusChem"},{"key":"D6CP02081J\/cit24\/1","doi-asserted-by":"crossref","first-page":"1811","DOI":"10.1039\/C9NR08788E","volume":"12","author":"Liu","year":"2020","journal-title":"Nanoscale"},{"key":"D6CP02081J\/cit25\/1","doi-asserted-by":"crossref","first-page":"25142","DOI":"10.1039\/D0TA09937F","volume":"8","author":"Zhang","year":"2020","journal-title":"J. Mater. Chem. A"},{"key":"D6CP02081J\/cit26\/1","doi-asserted-by":"crossref","first-page":"2400","DOI":"10.1021\/acssuschemeng.8b05245","volume":"7","author":"Wang","year":"2018","journal-title":"ACS Sustainable Chem. Eng."},{"key":"D6CP02081J\/cit27\/1","doi-asserted-by":"crossref","first-page":"2190","DOI":"10.1021\/acscatal.2c05877","volume":"13","author":"Zhou","year":"2023","journal-title":"ACS Catal."},{"key":"D6CP02081J\/cit28\/1","author":"Felser","unstructured":"C.Felser  and  A.Hirohata , Heusler Alloys: Properties, Growth, Applications, Springer Series in Materials Science, 2016"},{"key":"D6CP02081J\/cit29\/1","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1080\/14686996.2019.1598238","volume":"20","author":"Kojima","year":"2019","journal-title":"Sci. Technol. Adv. Mater."},{"key":"D6CP02081J\/cit30\/1","doi-asserted-by":"crossref","first-page":"eaat6063","DOI":"10.1126\/sciadv.aat6063","volume":"4","author":"Kojima","year":"2018","journal-title":"Sci. Adv."},{"key":"D6CP02081J\/cit31\/1","doi-asserted-by":"crossref","first-page":"18074","DOI":"10.1039\/D1RA02884G","volume":"11","author":"Kojima","year":"2021","journal-title":"RSC Adv."},{"key":"D6CP02081J\/cit32\/1","doi-asserted-by":"crossref","first-page":"160271","DOI":"10.1016\/j.jallcom.2021.160271","volume":"877","author":"Chen","year":"2021","journal-title":"J. Alloys Compd."},{"key":"D6CP02081J\/cit33\/1","doi-asserted-by":"crossref","first-page":"151658","DOI":"10.1016\/j.apsusc.2021.151658","volume":"575","author":"Zhou","year":"2022","journal-title":"Appl. Surf. Sci."},{"key":"D6CP02081J\/cit34\/1","doi-asserted-by":"crossref","first-page":"15235","DOI":"10.1021\/acsami.2c00210","volume":"14","author":"Yin","year":"2022","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D6CP02081J\/cit35\/1","doi-asserted-by":"crossref","first-page":"159686","DOI":"10.1016\/j.apsusc.2024.159686","volume":"655","author":"Chen","year":"2024","journal-title":"Appl. Surf. Sci."},{"key":"D6CP02081J\/cit36\/1","doi-asserted-by":"crossref","first-page":"160519","DOI":"10.1016\/j.apsusc.2024.160519","volume":"669","author":"Zhou","year":"2024","journal-title":"Appl. Surf. Sci."},{"key":"D6CP02081J\/cit37\/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":"D6CP02081J\/cit38\/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":"D6CP02081J\/cit39\/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":"D6CP02081J\/cit40\/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":"D6CP02081J\/cit41\/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: Condens. Matter Mater. Phys."},{"key":"D6CP02081J\/cit42\/1","doi-asserted-by":"crossref","first-page":"16926","DOI":"10.1021\/acs.jpcc.0c02293","volume":"124","author":"Yuan","year":"2020","journal-title":"J. Phys. Chem. C"},{"key":"D6CP02081J\/cit43\/1","doi-asserted-by":"crossref","first-page":"1456","DOI":"10.1002\/jcc.21759","volume":"32","author":"Grimme","year":"2011","journal-title":"J. Comput. Chem."},{"key":"D6CP02081J\/cit44\/1","doi-asserted-by":"crossref","first-page":"17886","DOI":"10.1021\/jp047349j","volume":"108","author":"N\u00f8rskov","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D6CP02081J\/cit45\/1","doi-asserted-by":"crossref","first-page":"108033","DOI":"10.1016\/j.cpc.2021.108033","volume":"267","author":"Wang","year":"2021","journal-title":"Comput. Phys. Commun."},{"key":"D6CP02081J\/cit46\/1","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/S0360-0564(02)45013-4","volume":"45","author":"Hammer","year":"2000","journal-title":"Adv. Catal."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP02081J\/0\/D6CP02081J.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T18:05:10Z","timestamp":1785953110000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP02081J"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":46,"journal-issue":{"issue":"30","published-print":{"date-parts":[[2026,8,5]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp02081j","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}