{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T14:34:52Z","timestamp":1785767692910,"version":"3.56.0"},"reference-count":61,"publisher":"Royal Society of Chemistry (RSC)","issue":"46","license":[{"start":{"date-parts":[[2024,11,16]],"date-time":"2024-11-16T00:00:00Z","timestamp":1731715200000},"content-version":"am","delay-in-days":685,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001459","name":"Ministry of Education - Singapore","doi-asserted-by":"publisher","award":["MOE-T1-RG98\/19"],"award-info":[{"award-number":["MOE-T1-RG98\/19"]}],"id":[{"id":"10.13039\/501100001459","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                    DFT and experimental studies indicate that Ti\n                    <jats:sub>3<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    \u00a0with Cu, Co, and Ni dopants have better urea adsorption ability compared to undoped Ti\n                    <jats:sub>3<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    . It is feasible to use computational approach to predict urea adsorption of similar materials.\n                  <\/jats:p>","DOI":"10.1039\/d3cp03263a","type":"journal-article","created":{"date-parts":[[2023,11,16]],"date-time":"2023-11-16T10:02:12Z","timestamp":1700128932000},"page":"31874-31883","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Elucidation of the synergistic effects of 3d metal (M = Cu, Co, and Ni) dopants and terminations (T = \u2013O\u2013 and \u2013OH) of Ti\n                    <sub>3<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    T\n                    <sub>\n                      <i>x<\/i>\n                    <\/sub>\n                    MXenes for urea adsorption ability\n                    <i>via<\/i>\n                    DFT calculations and experiments"],"prefix":"10.1039","volume":"25","author":[{"given":"Caihong","family":"Liang","sequence":"first","affiliation":[{"name":"School of Materials Science and Engineering, Nanyang Technological University, Singapore, 639798, Singapore"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhihao","family":"Yen","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering, Nanyang Technological University, Singapore, 639798, Singapore"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8912-4717","authenticated-orcid":false,"given":"Teddy","family":"Salim","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering, Nanyang Technological University, Singapore, 639798, Singapore"},{"name":"Facility for Analysis, Characterization, Testing and Simulation (FACTS), Nanyang Technological University, Singapore, 639798, Singapore"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9390-8074","authenticated-orcid":false,"given":"Yeng Ming","family":"Lam","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering, Nanyang Technological University, Singapore, 639798, Singapore"},{"name":"Facility for Analysis, Characterization, Testing and Simulation (FACTS), Nanyang Technological University, Singapore, 639798, Singapore"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D3CP03263A\/cit1\/1","doi-asserted-by":"crossref","first-page":"iii","DOI":"10.3310\/hta13Suppl2-10","volume":"13","author":"Bond","year":"2009","journal-title":"Health Technol. Assess."},{"issue":"7","key":"D3CP03263A\/cit2\/1","doi-asserted-by":"crossref","first-page":"845","DOI":"10.14219\/jada.archive.2010.0282","volume":"141","author":"Herman","year":"2010","journal-title":"J. Am. Dent. Assoc."},{"issue":"1","key":"D3CP03263A\/cit3\/1","doi-asserted-by":"crossref","first-page":"012021","DOI":"10.1088\/1757-899X\/1046\/1\/012021","volume":"1046","author":"Zaher","year":"2021","journal-title":"IOP Conf. Ser. Mater. Sci. Eng."},{"issue":"1","key":"D3CP03263A\/cit4\/1","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/0022-0728(75)80033-7","volume":"62","author":"Parsons","year":"1975","journal-title":"J. Electroanal. Chem. Interfacial Electrochem."},{"issue":"26","key":"D3CP03263A\/cit5\/1","doi-asserted-by":"crossref","first-page":"10376","DOI":"10.1021\/la000639g","volume":"16","author":"Climent","year":"2000","journal-title":"Langmuir"},{"issue":"1","key":"D3CP03263A\/cit6\/1","doi-asserted-by":"crossref","first-page":"102939","DOI":"10.1016\/j.jece.2019.102939","volume":"7","author":"Abd El-Lateef","year":"2019","journal-title":"J. Environ. Chem. Eng."},{"issue":"7","key":"D3CP03263A\/cit7\/1","doi-asserted-by":"crossref","first-page":"1063","DOI":"10.1080\/01932691.2016.1219953","volume":"38","author":"Kameda","year":"2017","journal-title":"J. Dispers. Sci. Technol."},{"issue":"2","key":"D3CP03263A\/cit8\/1","first-page":"90","volume":"1","author":"Ganesapillai","year":"2015","journal-title":"Resour.-Effic. Technol."},{"issue":"3","key":"D3CP03263A\/cit9\/1","doi-asserted-by":"crossref","first-page":"438","DOI":"10.1002\/apj.1888","volume":"10","author":"Ganesapillai","year":"2015","journal-title":"Asia-Pac. J. Chem. Eng."},{"key":"D3CP03263A\/cit10\/1","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1016\/j.jenvman.2017.03.083","volume":"197","author":"Ooi","year":"2017","journal-title":"J. Environ. Manage."},{"issue":"8","key":"D3CP03263A\/cit11\/1","doi-asserted-by":"crossref","first-page":"5049","DOI":"10.1016\/j.arabjc.2016.11.013","volume":"12","author":"Simha","year":"2019","journal-title":"Arab. J. Chem."},{"key":"D3CP03263A\/cit12\/1","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1016\/j.carbpol.2018.08.069","volume":"201","author":"Abidin","year":"2018","journal-title":"Carbohydr. Polym."},{"issue":"12","key":"D3CP03263A\/cit13\/1","doi-asserted-by":"crossref","first-page":"1699","DOI":"10.1080\/01932691.2018.1461644","volume":"39","author":"Safwat","year":"2018","journal-title":"J. Dispers. Sci. Technol."},{"issue":"2","key":"D3CP03263A\/cit14\/1","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1007\/s10450-007-9093-6","volume":"14","author":"Berg\u00e9-Lefranc","year":"2008","journal-title":"Adsorption"},{"issue":"1\u20133","key":"D3CP03263A\/cit15\/1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/j.micromeso.2005.03.018","volume":"83","author":"Wernert","year":"2005","journal-title":"Microporous Mesoporous Mater."},{"issue":"1","key":"D3CP03263A\/cit16\/1","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1002\/jbm.a.36555","volume":"107","author":"Norahan","year":"2019","journal-title":"J. Biomed. Mater. Res. A"},{"issue":"8","key":"D3CP03263A\/cit17\/1","doi-asserted-by":"crossref","first-page":"2355","DOI":"10.1002\/jbm.a.36080","volume":"105","author":"Nejabat","year":"2017","journal-title":"J. Biomed. Mater. Res. A"},{"issue":"9","key":"D3CP03263A\/cit18\/1","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1038\/nrneph.2016.100","volume":"12","author":"Davenport","year":"2016","journal-title":"Nat. Rev. Nephrol."},{"issue":"4","key":"D3CP03263A\/cit19\/1","doi-asserted-by":"crossref","first-page":"4033","DOI":"10.1021\/nn501226z","volume":"8","author":"Liu","year":"2014","journal-title":"ACS Nano"},{"issue":"5","key":"D3CP03263A\/cit20\/1","doi-asserted-by":"crossref","first-page":"1250","DOI":"10.1002\/jbm.a.35645","volume":"104","author":"Shadjou","year":"2016","journal-title":"J. Biomed. Mater. Res. A"},{"issue":"4","key":"D3CP03263A\/cit21\/1","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1002\/jbm.a.37031","volume":"109","author":"Liu","year":"2021","journal-title":"J. Biomed. Mater. Res. A"},{"issue":"4","key":"D3CP03263A\/cit22\/1","doi-asserted-by":"crossref","first-page":"1016","DOI":"10.1002\/jbm.a.36880","volume":"108","author":"Li","year":"2020","journal-title":"J. Biomed. Mater. Res. A"},{"issue":"1","key":"D3CP03263A\/cit23\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.apmt.2015.06.002","volume":"1","author":"Joshi","year":"2015","journal-title":"Appl. Mater. Today"},{"key":"D3CP03263A\/cit24\/1","doi-asserted-by":"crossref","first-page":"218","DOI":"10.1016\/j.apmt.2017.11.010","volume":"10","author":"Rowley-Neale","year":"2018","journal-title":"Appl. Mater. Today"},{"key":"D3CP03263A\/cit25\/1","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1016\/j.carbpol.2018.04.122","volume":"195","author":"Abdelhameed","year":"2018","journal-title":"Carbohydr. Polym."},{"issue":"7","key":"D3CP03263A\/cit26\/1","doi-asserted-by":"crossref","first-page":"4366","DOI":"10.1021\/acs.inorgchem.9b03306","volume":"59","author":"Bej","year":"2020","journal-title":"Inorg. Chem."},{"issue":"77","key":"D3CP03263A\/cit27\/1","doi-asserted-by":"crossref","first-page":"40824","DOI":"10.1039\/C4RA05111D","volume":"4","author":"Yang","year":"2014","journal-title":"RSC. Adv."},{"issue":"20","key":"D3CP03263A\/cit28\/1","doi-asserted-by":"crossref","first-page":"205433","DOI":"10.1103\/PhysRevB.91.205433","volume":"91","author":"Huang","year":"2015","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"1","key":"D3CP03263A\/cit29\/1","doi-asserted-by":"crossref","first-page":"9961","DOI":"10.1038\/srep09961","volume":"5","author":"Xiao","year":"2015","journal-title":"Sci. Rep."},{"issue":"27","key":"D3CP03263A\/cit30\/1","doi-asserted-by":"crossref","first-page":"16801","DOI":"10.1039\/C7RA00260B","volume":"7","author":"Wang","year":"2017","journal-title":"RSC. Adv."},{"issue":"47","key":"D3CP03263A\/cit31\/1","doi-asserted-by":"crossref","first-page":"29939","DOI":"10.1039\/C8CP06162A","volume":"20","author":"Jamdagni","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"37","key":"D3CP03263A\/cit32\/1","doi-asserted-by":"crossref","first-page":"4248","DOI":"10.1002\/adma.201102306","volume":"23","author":"Naguib","year":"2011","journal-title":"Adv. Mater."},{"issue":"6547","key":"D3CP03263A\/cit33\/1","doi-asserted-by":"crossref","first-page":"eabf1581","DOI":"10.1126\/science.abf1581","volume":"372","author":"VahidMohammadi","year":"2021","journal-title":"Science"},{"issue":"2","key":"D3CP03263A\/cit34\/1","doi-asserted-by":"crossref","first-page":"1322","DOI":"10.1021\/nn204153h","volume":"6","author":"Naguib","year":"2012","journal-title":"ACS Nano"},{"issue":"2","key":"D3CP03263A\/cit35\/1","doi-asserted-by":"crossref","first-page":"16098","DOI":"10.1038\/natrevmats.2016.98","volume":"2","author":"Anasori","year":"2017","journal-title":"Nat. Rev. Mater."},{"issue":"39","key":"D3CP03263A\/cit36\/1","doi-asserted-by":"crossref","first-page":"2103393","DOI":"10.1002\/adma.202103393","volume":"33","author":"Naguib","year":"2021","journal-title":"Adv. Mater."},{"issue":"3","key":"D3CP03263A\/cit37\/1","doi-asserted-by":"crossref","first-page":"3031","DOI":"10.1021\/acsnano.8b08014","volume":"13","author":"Frey","year":"2019","journal-title":"ACS Nano"},{"key":"D3CP03263A\/cit38\/1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-030-19026-2","volume-title":"2D Metal Carbides and Nitrides (MXenes), Structure, Properties and Applications","author":"Anasori","year":"2019","unstructured":"B.Anasori  and  Y.Gogotsi ,  2D Metal Carbides and Nitrides (MXenes), Structure, Properties and Applications ,  2019"},{"issue":"10","key":"D3CP03263A\/cit39\/1","doi-asserted-by":"crossref","first-page":"10518","DOI":"10.1021\/acsnano.8b06494","volume":"12","author":"Meng","year":"2018","journal-title":"ACS Nano"},{"key":"D3CP03263A\/cit40\/1","doi-asserted-by":"crossref","first-page":"150629","DOI":"10.1016\/j.apsusc.2021.150629","volume":"566","author":"Maleki","year":"2021","journal-title":"Appl. Surf. Sci."},{"issue":"1","key":"D3CP03263A\/cit41\/1","doi-asserted-by":"crossref","first-page":"1716","DOI":"10.1038\/ncomms2664","volume":"4","author":"Mashtalir","year":"2013","journal-title":"Nat. Commun."},{"issue":"7529","key":"D3CP03263A\/cit42\/1","doi-asserted-by":"crossref","first-page":"78","DOI":"10.1038\/nature13970","volume":"516","author":"Ghidiu","year":"2014","journal-title":"Nature"},{"issue":"7","key":"D3CP03263A\/cit43\/1","doi-asserted-by":"crossref","first-page":"5099","DOI":"10.1039\/C6CP00330C","volume":"18","author":"Hope","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"4","key":"D3CP03263A\/cit44\/1","doi-asserted-by":"crossref","first-page":"1108","DOI":"10.1002\/app.12841","volume":"90","author":"Liu","year":"2003","journal-title":"J. Appl. Polym. Sci."},{"key":"D3CP03263A\/cit45\/1","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/j.comptc.2011.11.003","volume":"987","author":"Rimsza","year":"2012","journal-title":"Comput. Theor. Chem."},{"issue":"46","key":"D3CP03263A\/cit46\/1","doi-asserted-by":"crossref","first-page":"25964","DOI":"10.1039\/D1TA07396F","volume":"9","author":"Jin","year":"2021","journal-title":"J. Mater. Chem. A"},{"issue":"3","key":"D3CP03263A\/cit47\/1","doi-asserted-by":"crossref","first-page":"100371","DOI":"10.1016\/j.xcrp.2021.100371","volume":"2","author":"Chen","year":"2021","journal-title":"Cell. Rep. Phys. Sci."},{"issue":"6","key":"D3CP03263A\/cit48\/1","doi-asserted-by":"crossref","first-page":"4212","DOI":"10.1007\/s10853-020-05525-2","volume":"56","author":"Sheng","year":"2021","journal-title":"J. Mater. Sci."},{"issue":"5","key":"D3CP03263A\/cit49\/1","doi-asserted-by":"crossref","first-page":"2398","DOI":"10.1039\/C7RA12616F","volume":"8","author":"Feng","year":"2018","journal-title":"RSC. Adv."},{"issue":"20","key":"D3CP03263A\/cit50\/1","doi-asserted-by":"crossref","first-page":"14251","DOI":"10.1103\/PhysRevB.49.14251","volume":"49","author":"Kresse","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"3B","key":"D3CP03263A\/cit51\/1","doi-asserted-by":"crossref","first-page":"B864","DOI":"10.1103\/PhysRev.136.B864","volume":"136","author":"Hohenberg","year":"1964","journal-title":"Phys. Rev."},{"issue":"4A","key":"D3CP03263A\/cit52\/1","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn","year":"1965","journal-title":"Phys. Rev."},{"issue":"18","key":"D3CP03263A\/cit53\/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."},{"issue":"2","key":"D3CP03263A\/cit54\/1","first-page":"022201","volume":"22","author":"Klime\u0161","year":"2010","journal-title":"J. Phys.: Condens. Matter"},{"issue":"19","key":"D3CP03263A\/cit55\/1","doi-asserted-by":"crossref","first-page":"195131","DOI":"10.1103\/PhysRevB.83.195131","volume":"83","author":"Klime\u0161","year":"2011","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"12","key":"D3CP03263A\/cit56\/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: Solid State"},{"issue":"18","key":"D3CP03263A\/cit57\/1","doi-asserted-by":"crossref","first-page":"7633","DOI":"10.1021\/acs.chemmater.7b02847","volume":"29","author":"Alhabeb","year":"2017","journal-title":"Chem. Mater."},{"issue":"18","key":"D3CP03263A\/cit58\/1","doi-asserted-by":"crossref","first-page":"7633","DOI":"10.1021\/acs.chemmater.7b02847","volume":"29","author":"Alhabeb","year":"2017","journal-title":"Chem. Mater."},{"issue":"1","key":"D3CP03263A\/cit59\/1","doi-asserted-by":"crossref","first-page":"238","DOI":"10.1038\/s41467-020-20336-4","volume":"12","author":"Bao","year":"2021","journal-title":"Nat. Commun."},{"key":"D3CP03263A\/cit60\/1","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.matdes.2016.10.053","volume":"114","author":"Feng","year":"2017","journal-title":"Mater. Des."},{"key":"D3CP03263A\/cit61\/1","doi-asserted-by":"crossref","first-page":"e202114951","DOI":"10.1002\/anie.202114951","volume":"61","author":"Shah","year":"2022","journal-title":"Angew. Chem. Int. Ed."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D3CP03263A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T03:47:31Z","timestamp":1782964051000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/25\/46\/31874-31883\/802066"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":61,"journal-issue":{"issue":"46","published-print":{"date-parts":[[2023,11,29]]}},"URL":"https:\/\/doi.org\/10.1039\/d3cp03263a","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}