{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T22:47:37Z","timestamp":1791931657365,"version":"4.3.4"},"reference-count":65,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["51806050"],"award-info":[{"award-number":["51806050"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52076057"],"award-info":[{"award-number":["52076057"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Colloid and Interface Science"],"published-print":{"date-parts":[[2022,5]]},"DOI":"10.1016\/j.jcis.2022.01.017","type":"journal-article","created":{"date-parts":[[2022,1,7]],"date-time":"2022-01-07T10:49:58Z","timestamp":1641552598000},"page":"47-56","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":25,"special_numbering":"C","title":["Activity origin of boron doped carbon cluster for thermal catalytic oxidation: Coupling effects of dopants and edges"],"prefix":"10.1016","volume":"613","author":[{"given":"Zhibin","family":"Qu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fei","family":"Sun","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jihui","family":"Gao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guangbo","family":"Zhao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jcis.2022.01.017_b0005","doi-asserted-by":"crossref","first-page":"2816","DOI":"10.1021\/acs.chemrev.7b00217","article-title":"O2 activation by metal surfaces: Implications for bonding and reactivity on heterogeneous catalysts","volume":"118","author":"Montemore","year":"2018","journal-title":"Chem. Rev."},{"issue":"6321","key":"10.1016\/j.jcis.2022.01.017_b0010","doi-asserted-by":"crossref","DOI":"10.1126\/science.aad4998","article-title":"Combining theory and experiment in electrocatalysis: Insights into materials design, Science 355","volume":"355","author":"Seh","year":"2017","journal-title":"Science"},{"key":"10.1016\/j.jcis.2022.01.017_b0015","doi-asserted-by":"crossref","first-page":"2302","DOI":"10.1021\/acs.chemrev.7b00488","article-title":"Understanding catalytic activity trends in the oxygen reduction reaction","volume":"118","author":"Kulkarni","year":"2018","journal-title":"Chem. Rev."},{"key":"10.1016\/j.jcis.2022.01.017_b0020","doi-asserted-by":"crossref","first-page":"11945","DOI":"10.1021\/acs.chemrev.9b00157","article-title":"Alkaline anion-exchange membrane fuel cells: Challenges in electrocatalysis and interfacial charge transfer","volume":"119","author":"Ramaswamy","year":"2019","journal-title":"Chem. Rev."},{"key":"10.1016\/j.jcis.2022.01.017_b0025","doi-asserted-by":"crossref","first-page":"4347","DOI":"10.1039\/C7CS00045F","article-title":"Surface science under reaction conditions: CO oxidation on Pt and Pd model catalysts","volume":"46","author":"van Spronsen","year":"2017","journal-title":"Chem. Soc. Rev."},{"key":"10.1016\/j.jcis.2022.01.017_b0030","doi-asserted-by":"crossref","DOI":"10.1016\/j.cej.2019.122155","article-title":"A critical review on the method of simultaneous removal of multi-air-pollutant in flue gas","volume":"378","author":"Wang","year":"2019","journal-title":"Chem. Eng. J."},{"key":"10.1016\/j.jcis.2022.01.017_b0035","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1080\/01614940.2018.1482641","article-title":"Carbonaceous materials modified catalysts for simultaneous SO2\/NOx removal from flue gas: A review","volume":"61","author":"Silas","year":"2019","journal-title":"Catal. Rev."},{"issue":"6","key":"10.1016\/j.jcis.2022.01.017_b0040","doi-asserted-by":"crossref","first-page":"5204","DOI":"10.1021\/acscatal.9b00682","article-title":"Understanding oxygen activation on nanoporous gold","volume":"9","author":"Dononelli","year":"2019","journal-title":"ACS Catal."},{"issue":"14","key":"10.1016\/j.jcis.2022.01.017_b0045","doi-asserted-by":"crossref","first-page":"6456","DOI":"10.1021\/jacs.9b13453","article-title":"Manipulating atomic structures at the Au\/TiO2 interface for O2 activation","volume":"142","author":"Huang","year":"2020","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jcis.2022.01.017_b0050","doi-asserted-by":"crossref","DOI":"10.1016\/j.apcatb.2020.119248","article-title":"Molybdenum-promoted cobalt supported on SBA-15: Steam and sulfur dioxide stable catalyst for CO oxidation","volume":"277","author":"Lima","year":"2020","journal-title":"Appl. Catal. B Environ."},{"issue":"11","key":"10.1016\/j.jcis.2022.01.017_b0055","doi-asserted-by":"crossref","first-page":"9751","DOI":"10.1021\/acscatal.9b02408","article-title":"Oxygen vacancy promoted O2 activation over perovskite oxide for low-temperature CO oxidation","volume":"9","author":"Yang","year":"2019","journal-title":"ACS Catal."},{"issue":"6369","key":"10.1016\/j.jcis.2022.01.017_b0060","doi-asserted-by":"crossref","first-page":"1419","DOI":"10.1126\/science.aao2109","article-title":"Activation of surface lattice oxygen in single-atom Pt\/CeO2 for low-temperature CO oxidation","volume":"358","author":"Nie","year":"2017","journal-title":"Science"},{"issue":"2","key":"10.1016\/j.jcis.2022.01.017_b0065","doi-asserted-by":"crossref","first-page":"554","DOI":"10.1021\/jacs.7b10394","article-title":"Unraveling charge state of supported Au single-atoms during CO oxidation","volume":"140","author":"Zhou","year":"2018","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jcis.2022.01.017_b0070","doi-asserted-by":"crossref","first-page":"14890","DOI":"10.1021\/jacs.0c03627","article-title":"Metal-specific reactivity in single-atom catalysts: CO oxidation on 4d and 5d transition metals atomically dispersed on MgO","volume":"142","author":"Sarma","year":"2020","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"10.1016\/j.jcis.2022.01.017_b0075","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/j.carbon.2005.07.012","article-title":"Removal of SO2 by activated carbon fibers in the presence of O2 and H2O","volume":"44","author":"Gaur","year":"2006","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0080","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/j.carbon.2020.03.025","article-title":"Synthesis of porous nitrogen doped carbon cage from carbide for catalytic oxidation","volume":"163","author":"Wang","year":"2020","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0085","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/j.carbon.2016.04.080","article-title":"Efficient metal-free N-doped mesoporous carbon catalysts for ORR by a template-free approach","volume":"106","author":"Ferrero","year":"2016","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0090","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/j.carbon.2016.12.011","article-title":"Nitrogen-doped hollow mesoporous carbon spheres as a highly active and stable metal-free electrocatalyst for oxygen reduction","volume":"114","author":"Zhou","year":"2017","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0095","doi-asserted-by":"crossref","first-page":"16064","DOI":"10.1038\/natrevmats.2016.64","article-title":"Carbon-based metal-free catalysts","volume":"1","author":"Liu","year":"2016","journal-title":"Nat. Rev. Mater."},{"issue":"5","key":"10.1016\/j.jcis.2022.01.017_b0100","doi-asserted-by":"crossref","first-page":"1902126","DOI":"10.1002\/advs.201902126","article-title":"Nanocarbon catalysts: Recent understanding regarding the active sites","volume":"7","author":"Zhang","year":"2020","journal-title":"Adv. Sci."},{"key":"10.1016\/j.jcis.2022.01.017_b0105","doi-asserted-by":"crossref","first-page":"4394","DOI":"10.1021\/ja500432h","article-title":"Origin of the electrocatalytic oxygen reduction activity of graphene-based catalysts: A roadmap to achieve the best performance","volume":"136","author":"Jiao","year":"2014","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jcis.2022.01.017_b0110","doi-asserted-by":"crossref","first-page":"864","DOI":"10.1039\/C7CC06941C","article-title":"Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: A computational account","volume":"54","author":"Sun","year":"2018","journal-title":"Chem. Commun."},{"issue":"26","key":"10.1016\/j.jcis.2022.01.017_b0115","doi-asserted-by":"crossref","first-page":"7890","DOI":"10.1002\/chem.201400347","article-title":"The nucleophilicity of the oxygen functional groups on carbon materials: A DFT analysis","volume":"20","author":"Li","year":"2014","journal-title":"Chem. Eur. J."},{"issue":"5","key":"10.1016\/j.jcis.2022.01.017_b0120","doi-asserted-by":"crossref","first-page":"3825","DOI":"10.1021\/acscatal.7b04195","article-title":"Role of carbonaceous aerosols in catalyzing sulfate formation","volume":"8","author":"He","year":"2018","journal-title":"ACS Catal."},{"issue":"23","key":"10.1016\/j.jcis.2022.01.017_b0125","doi-asserted-by":"crossref","first-page":"19861","DOI":"10.1021\/acsami.7b04026","article-title":"Tailoring active sites via synergy between graphitic and pyridinic N for enhanced catalytic efficiency of a carbocatalyst","volume":"9","author":"Li","year":"2017","journal-title":"ACS Appl. Mater. Inter."},{"issue":"5915","key":"10.1016\/j.jcis.2022.01.017_b0130","doi-asserted-by":"crossref","first-page":"760","DOI":"10.1126\/science.1168049","article-title":"Nitrogen-doped carbon nanotube arrays with high electrocatalytic activity for oxygen reduction","volume":"323","author":"Gong","year":"2009","journal-title":"Science"},{"issue":"31","key":"10.1016\/j.jcis.2022.01.017_b0135","doi-asserted-by":"crossref","first-page":"7132","DOI":"10.1002\/anie.201101287","article-title":"Boron-doped carbon nanotubes as metal-free electrocatalysts for the oxygen reduction reaction","volume":"50","author":"Yang","year":"2011","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.jcis.2022.01.017_b0140","doi-asserted-by":"crossref","first-page":"11756","DOI":"10.1002\/anie.201105204","article-title":"Vertically aligned FigN nanotubes as efficient metal-free electrocatalysts for the oxygen reduction reaction: A synergetic effect by co-doping with boron and nitrogen","volume":"50","author":"Wang","year":"2011","journal-title":"Angew. Chem. Int. Ed."},{"issue":"5","key":"10.1016\/j.jcis.2022.01.017_b0145","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1038\/nnano.2015.48","article-title":"A metal-free bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions","volume":"10","author":"Zhang","year":"2015","journal-title":"Nat. Nanotechnol."},{"issue":"6271","key":"10.1016\/j.jcis.2022.01.017_b0150","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1126\/science.aad0832","article-title":"Active sites of nitrogen-doped carbon materials for oxygen reduction reaction clarified using model catalysts","volume":"351","author":"Guo","year":"2016","journal-title":"Science"},{"key":"10.1016\/j.jcis.2022.01.017_b0155","first-page":"78","article-title":"A review of oxygen reduction mechanisms for metal-free carbon-based electrocatalysts, npj Comput","volume":"5","author":"Ma","year":"2019","journal-title":"Mater."},{"issue":"13","key":"10.1016\/j.jcis.2022.01.017_b0160","doi-asserted-by":"crossref","first-page":"1805717","DOI":"10.1002\/adma.201805717","article-title":"Defect engineering and surface functionalization of nanocarbons for metal-free catalysis","volume":"31","author":"Ortiz\u2010Medina","year":"2019","journal-title":"Adv. Mater."},{"issue":"43","key":"10.1016\/j.jcis.2022.01.017_b0165","doi-asserted-by":"crossref","first-page":"6834","DOI":"10.1002\/adma.201503211","article-title":"Design Principles for heteroatom-doped carbon nanomaterials as highly efficient catalysts for fuel cells and metal-air batteries","volume":"27","author":"Zhao","year":"2015","journal-title":"Adv. Mater."},{"issue":"16","key":"10.1016\/j.jcis.2022.01.017_b0170","doi-asserted-by":"crossref","first-page":"9366","DOI":"10.1021\/acscatal.0c00474","article-title":"Highly localized C-N2 sites for efficient oxygen reduction","volume":"10","author":"Ju","year":"2020","journal-title":"ACS Catal."},{"key":"10.1016\/j.jcis.2022.01.017_b0175","doi-asserted-by":"crossref","first-page":"2583","DOI":"10.1021\/acs.jpcc.0c00071","article-title":"Local aromaticity: An important indicator of the surface active sites of heterocyclic nanostructures","volume":"124","author":"Wei","year":"2020","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.jcis.2022.01.017_b0180","article-title":"Understanding the activity origin of oxygen-doped carbon materials in catalyzing the two-electron oxygen reduction reaction towards hydrogen peroxide generation","author":"Xie","year":"2021","journal-title":"J. Colloid Interf. Sci."},{"key":"10.1016\/j.jcis.2022.01.017_b0185","doi-asserted-by":"crossref","first-page":"1471267","DOI":"10.1016\/j.apsusc.2020.147267","article-title":"Manipulation of structural and electronic properties of B-doped carbon nano-onions based on DFT modelling","volume":"532","author":"Goclon","year":"2020","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.jcis.2022.01.017_b0190","article-title":"Insights on boosting oxygen evolution reaction performance via boron incorporation into nitrogen-doped carbon electrocatalysts","volume":"528","author":"Lib","year":"2020","journal-title":"Appl. Surf. Sci."},{"issue":"2","key":"10.1016\/j.jcis.2022.01.017_b0195","doi-asserted-by":"crossref","first-page":"390","DOI":"10.1039\/C1JM14694G","article-title":"Synthesis of boron doped graphene for oxygen reduction reaction in fuel cells","volume":"22","author":"Sheng","year":"2012","journal-title":"J. Mater. Chem."},{"issue":"31","key":"10.1016\/j.jcis.2022.01.017_b0200","doi-asserted-by":"crossref","first-page":"17427","DOI":"10.1021\/acs.jpcc.6b04639","article-title":"Potential application of novel boron-doped graphene nanoribbon as oxygen reduction reaction catalyst","volume":"120","author":"Wang","year":"2016","journal-title":"J. Phys. Chem. C"},{"issue":"7","key":"10.1016\/j.jcis.2022.01.017_b0205","doi-asserted-by":"crossref","first-page":"2459","DOI":"10.1039\/c2cp43541a","article-title":"Ordered mesoporous boron-doped carbons as metal-free electrocatalysts for the oxygen reduction reaction in alkaline solution","volume":"15","author":"Bo","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.jcis.2022.01.017_b0210","doi-asserted-by":"crossref","first-page":"14706","DOI":"10.1021\/jp806084d","article-title":"Carbon alloy catalysts: Active sites for oxygen reduction reaction","volume":"112","author":"Ikeda","year":"2008","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.jcis.2022.01.017_b0215","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1016\/j.jcat.2014.07.024","article-title":"Boron-doped graphene as active electrocatalyst for oxygen reduction reaction at a fuel-cell cathode","volume":"318","author":"Fazio","year":"2014","journal-title":"J. Catal."},{"key":"10.1016\/j.jcis.2022.01.017_b0220","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1021\/cs501211h","article-title":"Single and multiple doping in graphene quantum dots: Unraveling the origin of selectivity in the oxygen reduction reaction","volume":"5","author":"Favaro","year":"2015","journal-title":"ACS Catal."},{"issue":"10","key":"10.1016\/j.jcis.2022.01.017_b0225","doi-asserted-by":"crossref","first-page":"1061","DOI":"10.1002\/cssc.201501439","article-title":"Theoretical studies of oxygen reactivity of free-standing and supported boron-doped graphene","volume":"9","author":"Di\u2005Valentin","year":"2016","journal-title":"ChemSusChem"},{"key":"10.1016\/j.jcis.2022.01.017_b0230","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.carbon.2018.10.060","article-title":"Homonuclear B2\/B3 doped carbon allotropes as a universal gas sensor: Possibility of CO oxidation and CO2 hydrogenation","volume":"143","author":"Parey","year":"2019","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0235","doi-asserted-by":"crossref","first-page":"434","DOI":"10.1016\/j.carbon.2020.04.068","article-title":"Metal-free heteroatom-doped carbon-based catalysts for ORR: A critical assessment about the role of heteroatoms","volume":"165","author":"Qu\u00edlez-Bermejo","year":"2020","journal-title":"Carbon"},{"key":"10.1016\/j.jcis.2022.01.017_b0240","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1098\/rspa.1951.0197","article-title":"Crystallite growth in graphitizing and non-graphitizing carbons","volume":"209","author":"Franklin","year":"1951","journal-title":"Proc. R. Soc. Lond. A"},{"issue":"13","key":"10.1016\/j.jcis.2022.01.017_b0245","doi-asserted-by":"crossref","first-page":"7631","DOI":"10.1021\/la9000347","article-title":"Pore structure analysis of activated carbon fiber by microdomain-based model","volume":"25","author":"Shiratori","year":"2009","journal-title":"Langmuir"},{"issue":"7789","key":"10.1016\/j.jcis.2022.01.017_b0250","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1038\/s41586-019-1871-2","article-title":"Synthesis and properties of free-standing monolayer amorphous carbon","volume":"577","author":"Toh","year":"2020","journal-title":"Nature"},{"issue":"11","key":"10.1016\/j.jcis.2022.01.017_b0255","doi-asserted-by":"crossref","first-page":"4484","DOI":"10.1002\/anie.201914115","article-title":"The Molecular composition of soot","volume":"59","author":"Jacobson","year":"2020","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.jcis.2022.01.017_b0260","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevLett.125.146801","article-title":"Magnetism of topological boundary states induced by boron substitution in graphene nanoribbons","volume":"125","author":"Friedrich","year":"2020","journal-title":"Phys. Rev. Lett."},{"key":"10.1016\/j.jcis.2022.01.017_b0265","doi-asserted-by":"crossref","first-page":"1804190","DOI":"10.1002\/adfm.201804190","article-title":"In situ doping boron atoms into porous carbon nanoparticles with increased oxygen graft enhances both affinity and durability toward electrolyte for greatly improved supercapacitive performance","volume":"28","author":"Sun","year":"2018","journal-title":"Adv. Funct. Mater."},{"key":"10.1016\/j.jcis.2022.01.017_b0270","first-page":"428","article-title":"A high-rate and ultrastable anode enabled by boron-doped nanoporous carbon spheres for high-power and long life lithium ion capacitors, Mater. Today","volume":"9","author":"Sun","year":"2018","journal-title":"Energy"},{"issue":"3","key":"10.1016\/j.jcis.2022.01.017_b0275","doi-asserted-by":"crossref","first-page":"529","DOI":"10.1039\/C8MH00156A","article-title":"Pseudocapacitance contribution in boron-doped graphite sheets for anion storage enables high-performance sodium-ion capacitors","volume":"5","author":"Yu","year":"2018","journal-title":"Mater. Horiz."},{"issue":"9","key":"10.1016\/j.jcis.2022.01.017_b0280","doi-asserted-by":"crossref","first-page":"1099","DOI":"10.1007\/s11426-019-9491-2","article-title":"Polycyclic aromatic hydrocarbons in the graphene era","volume":"62","author":"Wang","year":"2019","journal-title":"Sci. China Chem."},{"key":"10.1016\/j.jcis.2022.01.017_b0285","unstructured":"Gaussian 09, Revision D.01, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2013."},{"key":"10.1016\/j.jcis.2022.01.017_b0290","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"10.1016\/j.jcis.2022.01.017_b0295","doi-asserted-by":"crossref","DOI":"10.1016\/j.comptc.2021.113249","article-title":"Shermo: A general code for calculating molecular thermochemistry properties","volume":"1200","author":"Lu","year":"2021","journal-title":"Comput. Theor. Chem."},{"issue":"14","key":"10.1016\/j.jcis.2022.01.017_b0300","doi-asserted-by":"crossref","first-page":"4049","DOI":"10.1021\/ja00326a036","article-title":"Density functional approach to the frontier-electron theory of chemical reactivity","volume":"106","author":"Parr","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jcis.2022.01.017_b0305","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1002\/jcc.22885","article-title":"Multiwfn: A multifunctional wavefunction analyzer","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"issue":"01","key":"10.1016\/j.jcis.2022.01.017_b0310","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1142\/S0219633612500113","article-title":"Atomic dipole moment corrected hirshfeld population method","volume":"11","author":"Lu","year":"2012","journal-title":"J. Theor. Comput. Chem."},{"key":"10.1016\/j.jcis.2022.01.017_b0315","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1007\/s00214-019-2515-1","article-title":"A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge","volume":"138","author":"Wang","year":"2019","journal-title":"Theor. Chem. Acc."},{"key":"10.1016\/j.jcis.2022.01.017_b0320","first-page":"4327","article-title":"A new insight into SO2 low-temperature catalytic oxidation in porous carbon materials: Non-dissociated O2 molecule as oxidant, Catal","volume":"9","author":"Qu","year":"2019","journal-title":"Sci. Technol."},{"key":"10.1016\/j.jcis.2022.01.017_b0325","first-page":"590","volume":"25","author":"Liu","year":"2009","journal-title":"Conceptual density functional theory and some recent developments, Acta Phys.-Chim"}],"container-title":["Journal of Colloid and Interface Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021979722000194?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021979722000194?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,19]],"date-time":"2025-09-19T08:14:18Z","timestamp":1758269658000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021979722000194"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,5]]},"references-count":65,"alternative-id":["S0021979722000194"],"URL":"https:\/\/doi.org\/10.1016\/j.jcis.2022.01.017","relation":{},"ISSN":["0021-9797"],"issn-type":[{"value":"0021-9797","type":"print"}],"subject":[],"published":{"date-parts":[[2022,5]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Activity origin of boron doped carbon cluster for thermal catalytic oxidation: Coupling effects of dopants and edges","name":"articletitle","label":"Article Title"},{"value":"Journal of Colloid and Interface Science","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jcis.2022.01.017","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}]}}