{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T02:04:54Z","timestamp":1767924294672,"version":"3.49.0"},"reference-count":112,"publisher":"Royal Society of Chemistry (RSC)","issue":"8","content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"DOI":"10.1039\/c7cp00241f","type":"journal-article","created":{"date-parts":[[2017,2,7]],"date-time":"2017-02-07T09:27:38Z","timestamp":1486459658000},"page":"6113-6129","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":67,"title":["Corrosion inhibition of copper in aqueous chloride solution by 1H-1,2,3-triazole and 1,2,4-triazole and their combinations: electrochemical, Raman and theoretical studies"],"prefix":"10.1039","volume":"19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7176-2342","authenticated-orcid":false,"given":"Stanley Udochukwu","family":"Ofoegbu","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0685-3675","authenticated-orcid":false,"given":"Tiago L. P.","family":"Galv\u00e3o","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5993-1385","authenticated-orcid":false,"given":"Jos\u00e9 R. B.","family":"Gomes","sequence":"additional","affiliation":[]},{"given":"Jo\u00e3o","family":"Tedim","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3701-0846","authenticated-orcid":false,"given":"Helena I. S.","family":"Nogueira","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2071-9851","authenticated-orcid":false,"given":"M. G. S.","family":"Ferreira","sequence":"additional","affiliation":[]},{"given":"M. L.","family":"Zheludkevich","sequence":"additional","affiliation":[]}],"member":"292","published-online":{"date-parts":[[2017]]},"reference":[{"issue":"10","key":"C7CP00241F-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1666","DOI":"10.1149\/1.2128773","volume":"126","author":"Braun","year":"1979","journal-title":"J. Electrochem. Soc."},{"issue":"10","key":"C7CP00241F-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2035","DOI":"10.1149\/1.2108335","volume":"133","author":"Lee","year":"1986","journal-title":"J. Electrochem. Soc."},{"issue":"3","key":"C7CP00241F-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"374","DOI":"10.1007\/BF01093751","volume":"18","author":"Deslouis","year":"1988","journal-title":"J. Appl. Electrochem."},{"issue":"3","key":"C7CP00241F-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1007\/BF01093752","volume":"18","author":"Deslouis","year":"1988","journal-title":"J. Appl. Electrochem."},{"issue":"11","key":"C7CP00241F-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3235","DOI":"10.1149\/1.2085397","volume":"138","author":"Tromans","year":"1991","journal-title":"J. Electrochem. Soc."},{"issue":"1","key":"C7CP00241F-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"16","DOI":"10.5006\/1.3280429","volume":"53","author":"Tromans","year":"1997","journal-title":"Corrosion"},{"issue":"4","key":"C7CP00241F-(cit7)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1149\/1.2403477","volume":"120","author":"Bacarella","year":"1973","journal-title":"J. Electrochem. Soc."},{"key":"C7CP00241F-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1016\/0013-4686(81)87029-6","volume":"26","author":"Moreau","year":"1981","journal-title":"Electrochim. Acta"},{"key":"C7CP00241F-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1609","DOI":"10.1016\/0013-4686(81)85134-1","volume":"26","author":"Moreau","year":"1981","journal-title":"Electrochim. Acta"},{"issue":"8","key":"C7CP00241F-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1039","DOI":"10.1016\/0013-4686(88)80192-0","volume":"33","author":"Crousier","year":"1988","journal-title":"Electrochim. Acta"},{"issue":"5","key":"C7CP00241F-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"389","DOI":"10.5006\/1.3280482","volume":"53","author":"Feng","year":"1997","journal-title":"Corrosion"},{"issue":"1","key":"C7CP00241F-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"39","DOI":"10.5006\/1.3581967","volume":"41","author":"Hollander","year":"1985","journal-title":"Corrosion"},{"issue":"7","key":"C7CP00241F-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1016\/S0010-938X(79)80052-9","volume":"19","author":"Fox","year":"1979","journal-title":"Corros. Sci."},{"issue":"3","key":"C7CP00241F-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1016\/S0010-938X(01)00085-3","volume":"44","author":"Subramanian","year":"2002","journal-title":"Corros. Sci."},{"issue":"6","key":"C7CP00241F-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1228","DOI":"10.1016\/j.corsci.2009.03.026","volume":"51","author":"Antonijevi\u0107","year":"2009","journal-title":"Corros. Sci."},{"issue":"5","key":"C7CP00241F-(cit16)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1016\/0010-938X(80)90100-6","volume":"20","author":"Fox","year":"1980","journal-title":"Corros. Sci."},{"key":"C7CP00241F-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1016\/j.tsf.2013.12.047","volume":"556","author":"Jiang","year":"2014","journal-title":"Thin Solid Films"},{"issue":"3","key":"C7CP00241F-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"97","DOI":"10.5006\/0010-9312-31.3.97","volume":"31","author":"Walker","year":"1975","journal-title":"Corrosion"},{"issue":"2","key":"C7CP00241F-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1016\/S0010-938X(63)80001-3","volume":"3","author":"Dugdale","year":"1963","journal-title":"Corros. Sci."},{"issue":"7","key":"C7CP00241F-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"887","DOI":"10.1016\/0010-938X(80)90121-3","volume":"20","author":"Heakal","year":"1980","journal-title":"Corros. Sci."},{"issue":"6","key":"C7CP00241F-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1016\/0013-4686(90)90036-Y","volume":"35","author":"Youda","year":"1990","journal-title":"Electrochim. Acta"},{"issue":"11","key":"C7CP00241F-(cit22)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1931","DOI":"10.1016\/0010-938X(94)90028-0","volume":"36","author":"Modestov","year":"1994","journal-title":"Corros. Sci."},{"issue":"9","key":"C7CP00241F-(cit23)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2737","DOI":"10.1016\/j.corsci.2010.05.002","volume":"52","author":"Fin\u0161gar","year":"2010","journal-title":"Corros. Sci."},{"issue":"5","key":"C7CP00241F-(cit24)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1016\/S0010-938X(70)80026-9","volume":"10","author":"Poling","year":"1970","journal-title":"Corros. Sci."},{"issue":"5","key":"C7CP00241F-(cit25)\/*[position()=1]","first-page":"50","volume":"20","author":"Syrett","year":"1981","journal-title":"Mater. Perform."},{"issue":"9","key":"C7CP00241F-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1671","DOI":"10.2320\/matertrans.M2010141","volume":"51","author":"Al Kharafi","year":"2010","journal-title":"Mater. Trans."},{"key":"C7CP00241F-(cit27)\/*[position()=1]","first-page":"259","volume-title":"Corrosion in the Petrochemical Industry","year":"1994","unstructured":"Corrosion in the Petrochemical Industry, ed. L. Garverick, ASM International, Metals Park, OH, 1994, p. 259"},{"issue":"22","key":"C7CP00241F-(cit28)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8986","DOI":"10.1016\/j.apsusc.2007.05.017","volume":"253","author":"Al Kharafi","year":"2007","journal-title":"Appl. Surf. Sci."},{"issue":"2","key":"C7CP00241F-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/0010-938X(88)90093-5","volume":"28","author":"Al-Hajjar","year":"1988","journal-title":"Corros. Sci."},{"issue":"12","key":"C7CP00241F-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2337","DOI":"10.1016\/S0010-938X(99)00061-X","volume":"41","author":"Elmorsi","year":"1999","journal-title":"Corros. Sci."},{"issue":"8","key":"C7CP00241F-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"985","DOI":"10.1016\/S0013-4686(02)00811-3","volume":"48","author":"Otma\u010di\u0107","year":"2003","journal-title":"Electrochim. Acta"},{"issue":"3\u20134","key":"C7CP00241F-(cit32)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1023\/A:1024117230591","volume":"33","author":"Scendo","year":"2003","journal-title":"J. Appl. Electrochem."},{"issue":"11","key":"C7CP00241F-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2019","DOI":"10.1016\/S0010-938X(96)00094-7","volume":"38","author":"Zucchi","year":"1996","journal-title":"Corros. Sci."},{"issue":"3","key":"C7CP00241F-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"485","DOI":"10.1016\/j.electacta.2003.09.005","volume":"49","author":"Khaled","year":"2004","journal-title":"Electrochim. Acta"},{"issue":"5","key":"C7CP00241F-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1023\/B:JACH.0000021873.30314.eb","volume":"34","author":"Otma\u010di\u0107","year":"2004","journal-title":"J. Appl. Electrochem."},{"issue":"1","key":"C7CP00241F-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1023\/A:1014242112512","volume":"32","author":"Ma","year":"2002","journal-title":"J. Appl. Electrochem."},{"issue":"12","key":"C7CP00241F-(cit37)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4065","DOI":"10.1016\/j.corsci.2006.03.011","volume":"48","author":"Sherif","year":"2006","journal-title":"Corros. Sci."},{"key":"C7CP00241F-(cit38)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/j.corsci.2013.04.017","volume":"73","author":"Tian","year":"2013","journal-title":"Corros. Sci."},{"issue":"6","key":"C7CP00241F-(cit39)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2184","DOI":"10.1016\/j.corsci.2011.02.040","volume":"53","author":"Harvey","year":"2011","journal-title":"Corros. Sci."},{"key":"C7CP00241F-(cit40)\/*[position()=1]","volume-title":"Corrosion Inhibitors","author":"Riggs Jr","year":"1973","unstructured":"O. L. Riggs Jr , in Corrosion Inhibitors, ed. C. C. Nathan, Houston, TX, 2nd edn, 1973"},{"key":"C7CP00241F-(cit41)\/*[position()=1]","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4615-8252-6","volume-title":"Adv. Corros. Sci. Technol.","author":"Fontana","year":"1970","unstructured":"M. G. Fontana and K. W.Staehle, Adv. Corros. Sci. Technol., Plenum Press, New York, 1970, vol. 1, pp. 149\u2013156"},{"issue":"3","key":"C7CP00241F-(cit42)\/*[position()=1]","first-page":"99","author":"Hackerman","year":"1961","journal-title":"Comptes Rendus Symposium Europeen sur les Inhibiteurs de Corrosion, Annali Univ. N. S. Ferrara, Sez. V"},{"issue":"5","key":"C7CP00241F-(cit43)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"130","DOI":"10.5006\/0010-9312-23.5.130","volume":"23","author":"Szklarska-Smialowska","year":"1967","journal-title":"Corrosion"},{"key":"C7CP00241F-(cit44)\/*[position()=1]","volume-title":"\u00dcber Inhibitoren der Korrosion, I., Korrosion 16","author":"Horner","year":"1963","unstructured":"L. Horner and F.Rottger, \u00dcber Inhibitoren der Korrosion, I., Korrosion 16, Verlag Chemie-GMBH-Weinheim\/Bergstr, 1963, pp. 57\u201370"},{"issue":"6","key":"C7CP00241F-(cit45)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1149\/1.2425802","volume":"110","author":"Ayers","year":"1963","journal-title":"J. Electrochem. Soc."},{"issue":"13","key":"C7CP00241F-(cit46)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"136809","DOI":"10.1103\/PhysRevLett.102.136809","volume":"102","author":"Atodiresei","year":"2009","journal-title":"Phys. Rev. Lett."},{"issue":"2","key":"C7CP00241F-(cit47)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"137","DOI":"10.17675\/2305-6894-2014-3-2-137-148","volume":"3","author":"Kuznetsov","year":"2014","journal-title":"Int. J. Corros. Scale Inhib."},{"issue":"4","key":"C7CP00241F-(cit48)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1134\/S0036024414040141","volume":"88","author":"Kuznetsov","year":"2014","journal-title":"Russ. J. Phys. Chem. A"},{"issue":"1","key":"C7CP00241F-(cit49)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"58","DOI":"10.5006\/0556","volume":"69","author":"Al Kharafi","year":"2012","journal-title":"Corrosion"},{"issue":"5","key":"C7CP00241F-(cit50)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1803","DOI":"10.1021\/acs.jced.5b00996","volume":"61","author":"Bernard","year":"2016","journal-title":"J. Chem. Eng. Data"},{"issue":"11","key":"C7CP00241F-(cit51)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6288","DOI":"10.1021\/jp511938r","volume":"119","author":"Umeki","year":"2015","journal-title":"J. Phys. Chem. C"},{"issue":"36","key":"C7CP00241F-(cit52)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"11688","DOI":"10.1021\/jacs.5b05890","volume":"137","author":"Chaban","year":"2015","journal-title":"J. Am. Chem. Soc."},{"issue":"15","key":"C7CP00241F-(cit53)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8032","DOI":"10.1021\/acs.jpcc.5b00306","volume":"119","author":"Chen","year":"2015","journal-title":"J. Phys. Chem. C"},{"issue":"1","key":"C7CP00241F-(cit54)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/S0254-0584(98)00086-8","volume":"56","author":"Gomma","year":"1998","journal-title":"Mater. Chem. Phys."},{"issue":"3","key":"C7CP00241F-(cit55)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1108\/03699420710749027","volume":"36","author":"El Issami","year":"2007","journal-title":"Pigm. Resin Technol."},{"key":"C7CP00241F-(cit56)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"350","DOI":"10.1016\/j.corsci.2013.08.026","volume":"77","author":"Fin\u0161gar","year":"2013","journal-title":"Corros. Sci."},{"issue":"47","key":"C7CP00241F-(cit57)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"22674","DOI":"10.1021\/jp0522765","volume":"109","author":"Duda","year":"2005","journal-title":"J. Phys. Chem. B"},{"issue":"11","key":"C7CP00241F-(cit58)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2981","DOI":"10.1016\/j.corsci.2008.08.043","volume":"50","author":"Gece","year":"2008","journal-title":"Corros. Sci."},{"key":"C7CP00241F-(cit59)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1039\/C4FD00220B","volume":"180","author":"Taylor","year":"2015","journal-title":"Faraday Discuss."},{"issue":"1","key":"C7CP00241F-(cit60)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/S0166-1280(02)00316-0","volume":"593","author":"Fang","year":"2002","journal-title":"THEOCHEM"},{"issue":"1","key":"C7CP00241F-(cit61)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0301-0104(02)00408-1","volume":"279","author":"Stoyanova","year":"2002","journal-title":"Chem. Phys."},{"issue":"1","key":"C7CP00241F-(cit62)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/j.theochem.2003.08.126","volume":"640","author":"Martinez","year":"2003","journal-title":"THEOCHEM"},{"issue":"18","key":"C7CP00241F-(cit63)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2635","DOI":"10.1016\/S0013-4686(03)00307-4","volume":"48","author":"Khalil","year":"2003","journal-title":"Electrochim. Acta"},{"issue":"46","key":"C7CP00241F-(cit64)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"16657","DOI":"10.1021\/ja107704y","volume":"132","author":"Kokalj","year":"2010","journal-title":"J. Am. Chem. Soc."},{"issue":"12","key":"C7CP00241F-(cit65)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5269","DOI":"10.1039\/c3nr00724c","volume":"5","author":"Grillo","year":"2013","journal-title":"Nanoscale"},{"issue":"2","key":"C7CP00241F-(cit66)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"944","DOI":"10.1021\/jp409719c","volume":"118","author":"Kokalj","year":"2014","journal-title":"J. Phys. Chem. C"},{"issue":"49","key":"C7CP00241F-(cit67)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"24189","DOI":"10.1021\/jp207076w","volume":"115","author":"Kova\u010devi\u0107","year":"2011","journal-title":"J. Phys. Chem. C"},{"issue":"22","key":"C7CP00241F-(cit68)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6386","DOI":"10.1016\/j.electacta.2007.04.077","volume":"52","author":"Li","year":"2007","journal-title":"Electrochim. Acta"},{"issue":"28","key":"C7CP00241F-(cit69)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8287","DOI":"10.1016\/j.electacta.2008.06.061","volume":"53","author":"Fin\u0161gar","year":"2008","journal-title":"Electrochim. Acta"},{"issue":"39","key":"C7CP00241F-(cit70)\/*[position()=1]","first-page":"395502","volume":"21","author":"Giannozzi","year":"2009","journal-title":"J. Phys.: Condens. Matter"},{"issue":"24","key":"C7CP00241F-(cit71)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"246401","DOI":"10.1103\/PhysRevLett.92.246401","volume":"92","author":"Dion","year":"2004","journal-title":"Phys. Rev. Lett."},{"issue":"9","key":"C7CP00241F-(cit72)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"096102","DOI":"10.1103\/PhysRevLett.103.096102","volume":"103","author":"Rom\u00e1n-P\u00e9rez","year":"2009","journal-title":"Phys. Rev. Lett."},{"issue":"32","key":"C7CP00241F-(cit73)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"13085","DOI":"10.1039\/c3ra40713f","volume":"3","author":"Ramalho","year":"2013","journal-title":"RSC Adv."},{"issue":"4","key":"C7CP00241F-(cit74)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"045116","DOI":"10.1103\/PhysRevB.84.045116","volume":"84","author":"Kolb","year":"2011","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"24","key":"C7CP00241F-(cit75)\/*[position()=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."},{"issue":"3","key":"C7CP00241F-(cit76)\/*[position()=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."},{"issue":"18","key":"C7CP00241F-(cit77)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2912","DOI":"10.1016\/j.susc.2009.07.039","volume":"603","author":"Toyoda","year":"2009","journal-title":"Surf. Sci."},{"issue":"15","key":"C7CP00241F-(cit78)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"155431","DOI":"10.1103\/PhysRevB.80.155431","volume":"80","author":"Berland","year":"2009","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"40","key":"C7CP00241F-(cit79)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"20572","DOI":"10.1021\/jp404487z","volume":"117","author":"Yildirim","year":"2013","journal-title":"J. Phys. Chem. C"},{"issue":"16","key":"C7CP00241F-(cit80)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3296","DOI":"10.1103\/PhysRevLett.82.3296","volume":"82","author":"Marzari","year":"1999","journal-title":"Phys. Rev. Lett."},{"issue":"12","key":"C7CP00241F-(cit81)\/*[position()=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."},{"issue":"19","key":"C7CP00241F-(cit82)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12301","DOI":"10.1103\/PhysRevB.59.12301","volume":"59","author":"Bengtsson","year":"1999","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"14","key":"C7CP00241F-(cit83)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"146103","DOI":"10.1103\/PhysRevLett.108.146103","volume":"108","author":"Ruiz","year":"2012","journal-title":"Phys. Rev. Lett."},{"issue":"10","key":"C7CP00241F-(cit84)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9122","DOI":"10.1063\/1.468041","volume":"101","author":"Xi","year":"1994","journal-title":"J. Chem. Phys."},{"issue":"7","key":"C7CP00241F-(cit86)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"issue":"7","key":"C7CP00241F-(cit87)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3654","DOI":"10.1063\/1.444267","volume":"77","author":"Francl","year":"1982","journal-title":"J. Chem. Phys."},{"issue":"3","key":"C7CP00241F-(cit88)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/0166-1280(95)04333-8","volume":"357","author":"Finley","year":"1995","journal-title":"THEOCHEM"},{"issue":"2","key":"C7CP00241F-(cit89)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1021\/ct600185a","volume":"3","author":"Riley","year":"2007","journal-title":"J. Chem. Theory Comput."},{"issue":"8","key":"C7CP00241F-(cit90)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2999","DOI":"10.1021\/cr9904009","volume":"105","author":"Tomasi","year":"2005","journal-title":"Chem. Rev."},{"issue":"1","key":"C7CP00241F-(cit91)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2489","DOI":"10.3762\/bjnano.5.258","volume":"5","author":"Muniz-Miranda","year":"2014","journal-title":"Beilstein J. Nanotechnol."},{"issue":"5","key":"C7CP00241F-(cit92)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1145","DOI":"10.1039\/B913014D","volume":"12","author":"Muniz-Miranda","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"11","key":"C7CP00241F-(cit93)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3138","DOI":"10.1039\/c0cc05217e","volume":"47","author":"Muniz-Miranda","year":"2011","journal-title":"Chem. Commun."},{"issue":"16","key":"C7CP00241F-(cit94)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2657","DOI":"10.1016\/0013-4686(95)00108-Q","volume":"40","author":"Benedeti","year":"1995","journal-title":"Electrochim. Acta"},{"issue":"1","key":"C7CP00241F-(cit95)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.colsurfa.2005.08.003","volume":"273","author":"Li","year":"2006","journal-title":"Colloids Surf., A"},{"issue":"5","key":"C7CP00241F-(cit96)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1999","DOI":"10.1016\/j.corsci.2011.02.023","volume":"53","author":"Liao","year":"2011","journal-title":"Corros. Sci."},{"issue":"11","key":"C7CP00241F-(cit97)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3629","DOI":"10.1039\/c3ta01250f","volume":"1","author":"Lee","year":"2013","journal-title":"J. Mater. Chem. A"},{"issue":"2","key":"C7CP00241F-(cit98)\/*[position()=1]","first-page":"025002","volume":"68","author":"Metiko\u0161-Hukovi\u0107","year":"2012","journal-title":"J. Sci. Eng."},{"issue":"1","key":"C7CP00241F-(cit99)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.theochem.2006.06.010","volume":"775","author":"Jim\u00e9nez","year":"2006","journal-title":"THEOCHEM"},{"issue":"15","key":"C7CP00241F-(cit100)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"154307","DOI":"10.1063\/1.3249968","volume":"131","author":"Balabin","year":"2009","journal-title":"J. Chem. Phys."},{"issue":"15","key":"C7CP00241F-(cit101)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3197","DOI":"10.1016\/j.tet.2013.02.057","volume":"69","author":"Oziminski","year":"2013","journal-title":"Tetrahedron"},{"key":"C7CP00241F-(cit102)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"P1","DOI":"10.1016\/S0065-2725(00)76003-X","volume":"76","author":"Elguero","year":"2000","journal-title":"Adv. Heterocycl. Chem."},{"issue":"17\u201318","key":"C7CP00241F-(cit103)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2009","DOI":"10.1002\/elan.201000076","volume":"22","author":"Bastos","year":"2010","journal-title":"Electroanalysis"},{"key":"C7CP00241F-(cit104)\/*[position()=1]","first-page":"557","volume-title":"Heterocycl. Chem.","author":"Joule","year":"2010","unstructured":"J. A. Joule and K.Mills, Heterocycl. Chem., Wiley, 5th edn, 2010, p. 557"},{"issue":"3","key":"C7CP00241F-(cit105)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1007\/s00339-002-1514-5","volume":"76","author":"Wang","year":"2003","journal-title":"Appl. Phys. A: Mater. Sci. Process."},{"issue":"16","key":"C7CP00241F-(cit106)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10060","DOI":"10.1103\/PhysRevB.42.10060","volume":"42","author":"Kliche","year":"1990","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"18","key":"C7CP00241F-(cit107)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"R13130","DOI":"10.1103\/PhysRevB.52.R13130","volume":"52","author":"Chen","year":"1995","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"5","key":"C7CP00241F-(cit108)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1002\/(SICI)1097-4555(199905)30:5<413::AID-JRS387>3.0.CO;2-N","volume":"30","author":"Xu","year":"1999","journal-title":"J. Raman Spectrosc."},{"issue":"18","key":"C7CP00241F-(cit109)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10232","DOI":"10.1021\/jp303096m","volume":"116","author":"Debbichi","year":"2012","journal-title":"J. Phys. Chem. C"},{"issue":"3","key":"C7CP00241F-(cit110)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"987","DOI":"10.1016\/j.matchemphys.2014.06.047","volume":"147","author":"Akgul","year":"2014","journal-title":"Mater. Chem. Phys."},{"issue":"22","key":"C7CP00241F-(cit111)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7477","DOI":"10.1016\/j.apsusc.2008.06.004","volume":"254","author":"Dar","year":"2008","journal-title":"Appl. Surf. Sci."},{"issue":"4","key":"C7CP00241F-(cit112)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2473","DOI":"10.1021\/acscatal.6b00205","volume":"6","author":"Deng","year":"2016","journal-title":"ACS Catal."},{"issue":"44","key":"C7CP00241F-(cit113)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10332","DOI":"10.1021\/ja9918425","volume":"121","author":"Henson","year":"1999","journal-title":"J. Am. Chem. Soc."}],"container-title":["Phys. Chem. Chem. Phys."],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2017\/CP\/C7CP00241F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T22:59:08Z","timestamp":1713394748000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=C7CP00241F"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017]]},"references-count":112,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2017]]}},"URL":"https:\/\/doi.org\/10.1039\/c7cp00241f","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017]]},"assertion":[{"value":"This document is CrossCheck deposited","name":"crosscheck","explanation":{"URL":"http:\/\/www.crossref.org\/crosscheck\/index.html"},"group":{"name":"crosscheck","label":"CROSSCHECK"}},{"value":"Supplementary Information","URL":"http:\/\/dx.doi.org\/10.1039\/C7CP00241F","name":"related_data","group":{"name":"related_data","label":"RELATED DATA"}},{"value":"Stanley Udochukwu Ofoegbu (ORCID)","URL":"http:\/\/orcid.org\/0000-0001-7176-2342","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Tiago L. P. Galv\u00e3o (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-0685-3675","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Tiago L. P. Galv\u00e3o (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/D-1085-2011","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Jos\u00e9 R. B. Gomes (ORCID)","URL":"http:\/\/orcid.org\/0000-0001-5993-1385","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Helena I. S. Nogueira (ORCID)","URL":"http:\/\/orcid.org\/0000-0003-3701-0846","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Helena I. S. Nogueira (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/A-3490-2012","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"M. G. S. Ferreira (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-2071-9851","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"M. G. S. Ferreira (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/D-5869-2014","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"The PCCP Owner Societies have an exclusive publication licence for this journal","name":"copyright_licence","group":{"name":"copyright_licensing","label":"COPYRIGHT AND LICENSING"}},{"value":"Received 12 January 2017; Accepted 7 February 2017; Accepted Manuscript published 7 February 2017; Advance Article published 13 February 2017; Version of Record published 22 February 2017","order":1,"name":"history","group":{"name":"publication_history","label":"PUBLICATION HISTORY"}}]}}