{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,31]],"date-time":"2026-10-31T14:35:46Z","timestamp":1793457346035,"version":"4.5.0"},"reference-count":64,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,6,1]],"date-time":"2022-06-01T00:00:00Z","timestamp":1654041600000},"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":["51876060"],"award-info":[{"award-number":["51876060"]}],"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":["51922040"],"award-info":[{"award-number":["51922040"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["2020DF01"],"award-info":[{"award-number":["2020DF01"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["2020MS065"],"award-info":[{"award-number":["2020MS065"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100013804","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100013804","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100019081","name":"Science and Technology Program of Hunan Province","doi-asserted-by":"publisher","award":["2020RC5008"],"award-info":[{"award-number":["2020RC5008"]}],"id":[{"id":"10.13039\/501100019081","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Chemosphere"],"published-print":{"date-parts":[[2022,6]]},"DOI":"10.1016\/j.chemosphere.2022.134168","type":"journal-article","created":{"date-parts":[[2022,2,28]],"date-time":"2022-02-28T15:11:04Z","timestamp":1646061064000},"page":"134168","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":16,"special_numbering":"C","title":["Mechanism insights into CO oxidation over transition metal modified V2O5\/TiO2 catalysts: A theoretical study"],"prefix":"10.1016","volume":"297","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9224-5133","authenticated-orcid":false,"given":"Teng-ge","family":"Mi","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9773-0792","authenticated-orcid":false,"given":"Yang-wen","family":"Wu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin-yue","family":"Zhou","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2801-9873","authenticated-orcid":false,"given":"Bin","family":"Hu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Zhao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4340-1803","authenticated-orcid":false,"given":"Qiang","family":"Lu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.chemosphere.2022.134168_bib1","doi-asserted-by":"crossref","first-page":"4367","DOI":"10.1021\/acs.energyfuels.0c03659","article-title":"Spray-flame synthesis of LaMnO3+\u03b4 nanoparticles for selective CO oxidation (SELOX)","volume":"35","author":"Angel","year":"2021","journal-title":"Energy Fuel."},{"key":"10.1016\/j.chemosphere.2022.134168_bib2","doi-asserted-by":"crossref","first-page":"106483","DOI":"10.1016\/j.fuproc.2020.106483","article-title":"Performance of Ce-modified V-W-Ti type catalyst on simultaneous control of NO and typical VOCS","volume":"207","author":"Chen","year":"2020","journal-title":"Fuel Process. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib3","doi-asserted-by":"crossref","first-page":"116485","DOI":"10.1016\/j.fuel.2019.116485","article-title":"Simultaneous removal of NO and volatile organic compounds (VOCs) by Ce\/Mo doping-modified selective catalytic reduction (SCR) catalysts in denitrification zone of coal-fired flue gas","volume":"262","author":"Chen","year":"2020","journal-title":"Fuel"},{"key":"10.1016\/j.chemosphere.2022.134168_bib4","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1007\/s10562-018-2612-0","article-title":"Synthesis of efficient Cu\/CoFe2O4 catalysts for low temperature CO oxidation","volume":"149","author":"Chen","year":"2019","journal-title":"Catal. Lett."},{"key":"10.1016\/j.chemosphere.2022.134168_bib5","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.jhazmat.2017.02.013","article-title":"Simultaneous removal of NO and Hg0 over Ce-Cu modified V2O5\/TiO2 based commercial SCR catalysts","volume":"330","author":"Chi","year":"2017","journal-title":"J. Hazard Mater."},{"key":"10.1016\/j.chemosphere.2022.134168_bib6","doi-asserted-by":"crossref","first-page":"1600","DOI":"10.1021\/es015687h","article-title":"Development of new vanadium-based oxide catalysts for decomposition of chlorinated aromatic pollutants","volume":"36","author":"Cho","year":"2002","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib7","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1007\/s42823-019-00038-8","article-title":"CO catalytic oxidation over graphene with double vacancy-embedded molybdenum: a DFT investigation","volume":"29","author":"Dai","year":"2019","journal-title":"Carbon Letters"},{"key":"10.1016\/j.chemosphere.2022.134168_bib8","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/j.cattod.2010.02.010","article-title":"Total oxidation of benzene and chlorobenzene with MoO3- and WO3-promoted V2O5\/TiO2 catalysts prepared by a nonhydrolytic sol\u2013gel route","volume":"157","author":"Debecker","year":"2010","journal-title":"Catal. Today"},{"key":"10.1016\/j.chemosphere.2022.134168_bib9","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.molcata.2008.04.006","article-title":"Abatement of model molecules for dioxin total oxidation on V2O5\u2013WO3\/TiO2 catalysts: the case of substituted oxygen-containing VOC","volume":"289","author":"Debecker","year":"2008","journal-title":"J. Mol. Catal. Chem."},{"key":"10.1016\/j.chemosphere.2022.134168_bib10","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1063\/1.458452","article-title":"An all\u2010electron numerical method for solving the local density functional for polyatomic molecules","volume":"92","author":"Delley","year":"1990","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.chemosphere.2022.134168_bib11","doi-asserted-by":"crossref","first-page":"526","DOI":"10.1016\/j.apsusc.2018.08.249","article-title":"Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: a DFT study","volume":"463","author":"Esrafili","year":"2019","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib12","doi-asserted-by":"crossref","first-page":"1153","DOI":"10.1016\/j.fuproc.2008.05.007","article-title":"Effect of halogens on mercury conversion in SCR catalysts","volume":"89","author":"Eswaran","year":"2008","journal-title":"Fuel Process. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib13","doi-asserted-by":"crossref","first-page":"9768","DOI":"10.1021\/j100203a036","article-title":"General methods for geometry and wave function optimization","volume":"96","author":"Fischer","year":"1992","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.chemosphere.2022.134168_bib14","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1016\/j.mcat.2017.02.026","article-title":"A DFT study of the Hg0 oxidation mechanism on the V2O5-TiO2(001) surface","volume":"433","author":"Gao","year":"2017","journal-title":"Molecular Catalysis"},{"key":"10.1016\/j.chemosphere.2022.134168_bib15","doi-asserted-by":"crossref","first-page":"27963","DOI":"10.1021\/acs.jpcc.7b08151","article-title":"Effect of M-doped (M = Cr, Fe, Co, and Nb) V2O5\/TiO2(001) on mercury oxidation: the insights from DFT calculation","volume":"121","author":"Gao","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.chemosphere.2022.134168_bib16","doi-asserted-by":"crossref","first-page":"118245","DOI":"10.1016\/j.fuel.2020.118245","article-title":"Deactivation mechanism of KCl and K2SO4 poisoned V2O5\/WO3-TiO2 catalyst on gaseous elemental mercury oxidation","volume":"278","author":"Hu","year":"2020","journal-title":"Fuel"},{"key":"10.1016\/j.chemosphere.2022.134168_bib17","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.catcom.2015.04.020","article-title":"The promotional effect of MoO3 doped V2O5\/TiO2 for chlorobenzene oxidation","volume":"69","author":"Huang","year":"2015","journal-title":"Catal. Commun."},{"key":"10.1016\/j.chemosphere.2022.134168_bib18","doi-asserted-by":"crossref","first-page":"130285","DOI":"10.1016\/j.chemosphere.2021.130285","article-title":"Recent advances in catalytic systems in the prism of physicochemical properties to remediate toxic CO pollutants: a state-of-the-art review","volume":"277","author":"Hussain","year":"2021","journal-title":"Chemosphere"},{"key":"10.1016\/j.chemosphere.2022.134168_bib19","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1016\/S0926-3373(02)00116-9","article-title":"An FT-IR study of the conversion of 2-chloropropane, o-dichlorobenzene and dibenzofuran on V2O5-MoO3-TiO2 SCR-DeNOx catalysts","volume":"39","author":"Larrubia","year":"2002","journal-title":"Appl. Catal. B Environ."},{"key":"10.1016\/j.chemosphere.2022.134168_bib20","doi-asserted-by":"crossref","first-page":"2635","DOI":"10.1021\/acs.jpcc.6b09105","article-title":"CO oxidation by molecular and atomic oxygen on Ag(100): a density functional theory study","volume":"121","author":"Lei","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.chemosphere.2022.134168_bib21","doi-asserted-by":"crossref","first-page":"6250","DOI":"10.1021\/jp911535v","article-title":"CO catalytic oxidation on Iron-embedded graphene: computational quest for low-cost nanocatalysts","volume":"114","author":"Li","year":"2010","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.chemosphere.2022.134168_bib22","doi-asserted-by":"crossref","first-page":"6886","DOI":"10.1039\/C6CY00672H","article-title":"Theoretical investigations of non-noble metal single-atom catalysis: Ni1\/FeOx for CO oxidation","volume":"6","author":"Liang","year":"2016","journal-title":"Catal. Sci. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib23","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1023\/A:1027217612947","article-title":"Selective catalytic reduction (SCR) of NO by NH3 over TiO2-supported V2O5\u2013WO3 and V2O5\u2013MoO3 catalysts","volume":"11","author":"Lietti","year":"2000","journal-title":"Top. Catal."},{"key":"10.1016\/j.chemosphere.2022.134168_bib24","doi-asserted-by":"crossref","first-page":"119248","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."},{"key":"10.1016\/j.chemosphere.2022.134168_bib25","doi-asserted-by":"crossref","first-page":"16045","DOI":"10.1039\/C8CP01694A","article-title":"Carbonate-mediated Mars\u2013van Krevelen mechanism for CO oxidation on cobalt-doped ceria catalysts: facet-dependence and coordination-dependence","volume":"20","author":"Liu","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.chemosphere.2022.134168_bib26","doi-asserted-by":"crossref","first-page":"4865","DOI":"10.1021\/acs.energyfuels.0c00066","article-title":"Deactivation mechanism of the commercial V2O5\u2013MoO3\/TiO2 selective catalytic reduction catalyst by arsenic poisoning in coal-fired power plants","volume":"34","author":"Lu","year":"2020","journal-title":"Energy Fuel."},{"key":"10.1016\/j.chemosphere.2022.134168_bib27","doi-asserted-by":"crossref","first-page":"27856","DOI":"10.1039\/D0RA05287F","article-title":"Density functional study on the CO oxidation reaction mechanism on MnN2-doped graphene","volume":"10","author":"Luo","year":"2020","journal-title":"RSC Adv."},{"key":"10.1016\/j.chemosphere.2022.134168_bib28","doi-asserted-by":"crossref","first-page":"6004","DOI":"10.1039\/D0CP00178C","article-title":"Graphyne-anchored single Fe atoms as efficient CO oxidation catalysts as predicted by DFT calculations","volume":"22","author":"Ma","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.chemosphere.2022.134168_bib29","doi-asserted-by":"crossref","first-page":"118104","DOI":"10.1016\/j.apcata.2021.118104","article-title":"Theoretical insights into the roles of active oxygen species in heterogeneous oxidation of CO over Mn\/TiO2 catalyst","volume":"616","author":"Mi","year":"2021","journal-title":"Appl. Catal. Gen."},{"key":"10.1016\/j.chemosphere.2022.134168_bib30","doi-asserted-by":"crossref","first-page":"106678","DOI":"10.1016\/j.fuproc.2020.106678","article-title":"Catalytic oxidation of CO over V2O5\/TiO2 and V2O5-WO3\/TiO2 catalysts: a DFT study","volume":"213","author":"Mi","year":"2021","journal-title":"Fuel Process. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib31","doi-asserted-by":"crossref","first-page":"692","DOI":"10.1016\/j.apcatb.2015.08.030","article-title":"Comparison of MoO3 and WO3 on arsenic poisoning V2O5\/TiO2 catalyst: DRIFTS and DFT study","volume":"181","author":"Peng","year":"2016","journal-title":"Appl. Catal. B Environ."},{"key":"10.1016\/j.chemosphere.2022.134168_bib32","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","article-title":"Generalized gradient approximation made simple","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"10.1016\/j.chemosphere.2022.134168_bib33","doi-asserted-by":"crossref","first-page":"16533","DOI":"10.1103\/PhysRevB.54.16533","article-title":"Generalized gradient approximation for the exchange-correlation hole of a many-electron system","volume":"54","author":"Perdew","year":"1996","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.chemosphere.2022.134168_bib34","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/j.apcata.2016.03.021","article-title":"A DFT+U study of the Mars Van Krevelen mechanism of CO oxidation on Au\/TiO2 catalysts","volume":"519","author":"Saqlain","year":"2016","journal-title":"Appl. Catal. Gen."},{"key":"10.1016\/j.chemosphere.2022.134168_bib35","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/j.matchemphys.2018.11.005","article-title":"Polynuclear Co-oxo cations in the catalytic oxidation of CO on Co-modified ZSM-5 zeolites","volume":"223","author":"Shilina","year":"2019","journal-title":"Mater. Chem. Phys."},{"key":"10.1016\/j.chemosphere.2022.134168_bib36","doi-asserted-by":"crossref","first-page":"2395","DOI":"10.1016\/j.jmrt.2018.12.012","article-title":"Factors affecting CO oxidation reaction over nanosized materials: a review","volume":"8","author":"Soliman","year":"2019","journal-title":"J. Mater. Res. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib37","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/j.apcatb.2018.10.015","article-title":"CO oxidation by Pd supported on CeO2(100) and CeO2(111) facets","volume":"243","author":"Spezzati","year":"2019","journal-title":"Appl. Catal. B Environ."},{"key":"10.1016\/j.chemosphere.2022.134168_bib38","doi-asserted-by":"crossref","first-page":"486","DOI":"10.1016\/j.apcatb.2013.07.040","article-title":"Oxidation and reduction of mercury by SCR DeNOx catalysts under flue gas conditions in coal fired power plants","volume":"144","author":"Stolle","year":"2014","journal-title":"Appl. Catal. B Environ."},{"key":"10.1016\/j.chemosphere.2022.134168_bib39","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/0926-3373(92)80037-Z","article-title":"Effect of support material on the catalytic combustion of diesel soot particulates","volume":"1","author":"van Doorn","year":"1992","journal-title":"Appl. Catal. B Environ."},{"key":"10.1016\/j.chemosphere.2022.134168_bib40","doi-asserted-by":"crossref","first-page":"2743","DOI":"10.1021\/acs.est.0c07326","article-title":"Multipollutant control (MPC) of flue gas from stationary sources using SCR technology: a critical review","volume":"55","author":"Wang","year":"2021","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib41","doi-asserted-by":"crossref","first-page":"5398","DOI":"10.1021\/acs.est.6b00549","article-title":"Mechanism of heterogeneous mercury oxidation by HBr over V2O5\/TiO2 catalyst","volume":"50","author":"Wang","year":"2016","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib42","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1016\/j.apsusc.2019.05.132","article-title":"Effect of WO3 doping on the mechanism of mercury oxidation by HCl over V2O5\/TiO2(001) surface: periodic density functional theory study","volume":"487","author":"Wu","year":"2019","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib43","doi-asserted-by":"crossref","first-page":"111317","DOI":"10.1016\/j.mcat.2020.111317","article-title":"Effect of WO3 and MoO3 doping on the interaction mechanism between arsenic oxide and V2O5-based SCR catalyst: a theoretical account","volume":"499","author":"Wu","year":"2021","journal-title":"Molecular Catalysis"},{"key":"10.1016\/j.chemosphere.2022.134168_bib44","doi-asserted-by":"crossref","first-page":"130057","DOI":"10.1016\/j.chemosphere.2021.130057","article-title":"First-principles insights into the adsorption and interaction mechanism of selenium on selective catalytic reduction catalyst","volume":"275","author":"Wu","year":"2021","journal-title":"Chemosphere"},{"key":"10.1016\/j.chemosphere.2022.134168_bib45","doi-asserted-by":"crossref","first-page":"147752","DOI":"10.1016\/j.apsusc.2020.147752","article-title":"Theoretical insight into the interaction mechanism between V2O5\/TiO2(001) surface and arsenic oxides in flue gas","volume":"535","author":"Wu","year":"2021","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib46","doi-asserted-by":"crossref","first-page":"15478","DOI":"10.1021\/acs.iecr.0c00327","article-title":"Promotional effect of S doping on V2O5\u2013WO3\/TiO2 catalysts for low-temperature NOx reduction with NH3","volume":"59","author":"Wu","year":"2020","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.chemosphere.2022.134168_bib47","doi-asserted-by":"crossref","first-page":"746","DOI":"10.1038\/nature07877","article-title":"Low-temperature oxidation of CO catalysed by Co3O4 nanorods","volume":"458","author":"Xie","year":"2009","journal-title":"Nature"},{"key":"10.1016\/j.chemosphere.2022.134168_bib48","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1016\/j.carbon.2017.03.034","article-title":"CO oxidation on single Pd atom embedded defect-graphene via a new termolecular Eley-Rideal mechanism","volume":"118","author":"Xu","year":"2017","journal-title":"Carbon"},{"key":"10.1016\/j.chemosphere.2022.134168_bib49","doi-asserted-by":"crossref","first-page":"890","DOI":"10.1016\/j.chemosphere.2008.07.027","article-title":"Innovative PCDD\/F-containing gas stream generating system applied in catalytic decomposition of gaseous dioxins over V2O5\u2013WO3\/TiO2-based catalysts","volume":"73","author":"Yang","year":"2008","journal-title":"Chemosphere"},{"key":"10.1016\/j.chemosphere.2022.134168_bib50","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1016\/j.jhazmat.2017.10.011","article-title":"Molecular-level insights into mercury removal mechanism by pyrite","volume":"344","author":"Yang","year":"2018","journal-title":"J. Hazard Mater."},{"key":"10.1016\/j.chemosphere.2022.134168_bib51","doi-asserted-by":"crossref","first-page":"100844","DOI":"10.1016\/j.pecs.2020.100844","article-title":"Reaction mechanisms and chemical kinetics of mercury transformation during coal combustion","volume":"79","author":"Yang","year":"2020","journal-title":"Prog. Energy Combust. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib52","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1016\/j.fuel.2019.03.103","article-title":"New insight into simultaneous removal of NO and Hg0 on CeO2-modified V2O5\/TiO2 catalyst: a new modification strategy","volume":"249","author":"Yang","year":"2019","journal-title":"Fuel"},{"key":"10.1016\/j.chemosphere.2022.134168_bib53","doi-asserted-by":"crossref","first-page":"148244","DOI":"10.1016\/j.apsusc.2020.148244","article-title":"A computational study of CO oxidation on IrO2 (110) surface","volume":"539","author":"Yeh","year":"2021","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib54","doi-asserted-by":"crossref","first-page":"2855","DOI":"10.1016\/j.proci.2014.06.051","article-title":"Insights into the mechanism of heterogeneous mercury oxidation by HCl over V2O5\/TiO2 catalyst: periodic density functional theory study","volume":"35","author":"Zhang","year":"2015","journal-title":"Proc. Combust. Inst."},{"key":"10.1016\/j.chemosphere.2022.134168_bib55","doi-asserted-by":"crossref","first-page":"127739","DOI":"10.1016\/j.chemosphere.2020.127739","article-title":"Enhanced moisture resistance of Cu\/Ce catalysts for CO oxidation via Plasma\u2212Catalyst interactions","volume":"261","author":"Zhang","year":"2020","journal-title":"Chemosphere"},{"key":"10.1016\/j.chemosphere.2022.134168_bib56","doi-asserted-by":"crossref","first-page":"12777","DOI":"10.1016\/j.ijhydene.2020.02.210","article-title":"Phase-separated Ce\u2013Co\u2013O catalysts for CO oxidation","volume":"45","author":"Zhang","year":"2020","journal-title":"Int. J. Hydrogen Energy"},{"key":"10.1016\/j.chemosphere.2022.134168_bib57","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/j.apsusc.2018.09.261","article-title":"New insight into alkali resistance and low temperature activation on vanadia-titania catalysts for selective catalytic reduction of NO","volume":"466","author":"Zhang","year":"2019","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.chemosphere.2022.134168_bib58","series-title":"A Ti-Anchored Ti\u2082CO\u2082 Monolayer (MXene) as a Single-Atom Catalyst for CO Oxidation","author":"Zhang","year":"2016"},{"key":"10.1016\/j.chemosphere.2022.134168_bib59","doi-asserted-by":"crossref","first-page":"111154","DOI":"10.1016\/j.mcat.2020.111154","article-title":"CO oxidation on Ni-based single-atom alloys surfaces","volume":"495","author":"Zhang","year":"2020","journal-title":"Molecular Catalysis"},{"key":"10.1016\/j.chemosphere.2022.134168_bib60","doi-asserted-by":"crossref","first-page":"198","DOI":"10.1016\/j.fuproc.2015.01.034","article-title":"Mercury oxidized by V2O5\u2013MoO3\/TiO2 under multiple components flue gas: an actual coal-fired power plant test and a laboratory experiment","volume":"134","author":"Zhao","year":"2015","journal-title":"Fuel Process. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib61","doi-asserted-by":"crossref","first-page":"1354","DOI":"10.1021\/acs.energyfuels.8b03600","article-title":"Mechanism of Hg0 and O2 interaction on the IrO2(110) Surface: a density functional theory study","volume":"33","author":"Zhao","year":"2019","journal-title":"Energy Fuel."},{"key":"10.1016\/j.chemosphere.2022.134168_bib62","doi-asserted-by":"crossref","first-page":"1886","DOI":"10.1016\/S1872-2067(15)60958-5","article-title":"Highly dispersed V2O5\/TiO2 modified with transition metals (Cu, Fe, Mn, Co) as efficient catalysts for the selective reduction of NO with NH3","volume":"36","author":"Zhao","year":"2015","journal-title":"Chin. J. Catal."},{"key":"10.1016\/j.chemosphere.2022.134168_bib63","doi-asserted-by":"crossref","first-page":"5398","DOI":"10.1021\/acs.est.6b00549","article-title":"Mechanism of heterogeneous mercury oxidation by HBr over V2O5\/TiO2 Catalyst","volume":"50","author":"Zhen Wang","year":"2016","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.chemosphere.2022.134168_bib64","doi-asserted-by":"crossref","first-page":"14806","DOI":"10.1021\/jp2026175","article-title":"CO oxidation by lattice oxygen on V2O5 nanotubes","volume":"115","author":"Zhu","year":"2011","journal-title":"J. Phys. Chem. C"}],"container-title":["Chemosphere"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045653522006610?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045653522006610?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,23]],"date-time":"2025-09-23T12:33:31Z","timestamp":1758630811000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045653522006610"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,6]]},"references-count":64,"alternative-id":["S0045653522006610"],"URL":"https:\/\/doi.org\/10.1016\/j.chemosphere.2022.134168","relation":{},"ISSN":["0045-6535"],"issn-type":[{"value":"0045-6535","type":"print"}],"subject":[],"published":{"date-parts":[[2022,6]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Mechanism insights into CO oxidation over transition metal modified V2O5\/TiO2 catalysts: A theoretical study","name":"articletitle","label":"Article Title"},{"value":"Chemosphere","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.chemosphere.2022.134168","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"134168"}}