Department of Chemical and Environmental Engineering, University of Nottingham Ningbo China, Ningbo, Peoples Republic of China, David Murindababisha,Abubakar Yusuf,Yong Sun&Jun He, College of Resources and Environmental Science, South-Central University for Nationalities, Wuhan, Peoples Republic of China, Department of Mechanical, Materials and Manufacturing Engineering, University of Nottingham Ningbo China, Ningbo, Peoples Republic of China, Procuratoral Technology and Information Research Center, Supreme Peoples Procuratorate, Beijing, Peoples Republic of China, Centre for Excellence in Regional Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen, Peoples Republic of China, Department of Chemical and Environmental Engineering, Faculty of Engineering, University of Nottingham, Nottingham, UK, Key Laboratory of Carbonaceous Wastes Processing and Process Intensification Research of Zhejiang Province, University of Nottingham Ningbo China, Ningbo, Peoples Republic of China, You can also search for this author in https://doi.org/10.1016/j.cej.2019.03.232, Yao X, Zhang J, Liang X, Long C (2018)Plasma-catalytic removal of toluene over the supported manganese oxides in DBD reactor: effect of the structure of zeolites support. https://doi.org/10.1039/C8RA10102G, Kamal MS, Razzak SA, Hossain MM (2016) Catalytic oxidation of volatile organic compounds (VOCs)- a review. 10.16606/j.cnki.issn0253-4320.2016.02.008 (In Chinese), Debecker DP, Stoyanova M, Rodemerck U, Eloy P, Le A, Su B, Gaigneaux EM (2010) Thermal spreading as an alternative for the wet impregnation method: advantages and downsides in the preparation of MoO3/SiO2-Al2O3 metathesis catalysts. https://doi.org/10.1016/j.jphotochem.2012.02.001, Molina R, Moreno S, Haidy M (2017) Effect of Mg and Al on manganese oxides as catalysts for VOC oxidation. Inorg Chem 58:1427514283. The oxidation of toluene under an externally applied potential showed a product distribution similar to that observed under short-circuit conditions. Environ Sci Pollut Res 26:2090820919. Chem Eng J 394:124986. https://doi.org/10.1016/j.cej.2020.124986, Dong C, Qu Z, Qin Y, Fu Q, Sun H, Duan X (2019) Revealing the highly catalytic performance of spinel CoMn2O4 for toluene oxidation: Involvement and replenishment of oxygen species using In Situ Designed-TP techniques. Correspondence to Environ Int 128:335342. J Chem Theory Comput 2(2):364382, Weigend F, Ahlrichs R (2005) Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy. Price excludes VAT (USA) https://doi.org/10.1016/j.mcat.2018.05.006, Zhang Y, Wei C, Yan B (2019a) Emission characteristics and associated health risk assessment of volatile organic compounds from a typical coking wastewater treatment plant. Catal Sci Technol 7:28862896. React Kinet Mech Catal 128:271287. J Porous Mater 24(2):541549. Phys Chem Chem Phys 16(27):1390013908, Fukui K (1970) A formulation of the reaction coordinate. Chem Eng J 369:758765. https://doi.org/10.1021/ie5000505, Han L, Cai S, Gao M, Hasegawa JY, Wang P, Zhang J, Shi L, Zhang D (2019) Selective catalytic reduction of NOx with NH3 by using novel catalysts: state of the art and future prospects. J Phys Chem A 112(29):66466666, Paranthaman S, Sampathkumar S, Murugasenapathi NK (2018) Density functional benchmark studies on structure and energetics of 3d transition metal mononitrides. Google Scholar, Zhou Y, Zhang L, Wang W (2019) Direct functionalization of methane into ethanol over copper modified polymeric carbon nitride via photocatalysis. https://doi.org/10.1016/j.cattod.2018.07.017, Sun H, Yu X, Ma X, Yang X, Lin M, Ge M (2019b) MnOx-CeO2 catalyst derived from metal-organic frameworks for toluene oxidation. https://doi.org/10.1039/C8CY00765A, Yang J, Li L, Yang X, Song S, Li J, Jing F, Chu W (2019a) Enhanced catalytic performances of in situ-assembled LaMnO3/-MnO2hetero-structures for toluene combustion. Appl Catal B Environ 291(15):120118, Song LN, Ding F, Yang YK et al (2018) Synthesis of TiO2/Bi2MoO6 composite for partial oxidation of aromatic alkanes under visible-light illumination. https://doi.org/10.1007/s13369-017-2452-z, Peng R, Sun X, Li S, Chen L, Fu M, Wu J, Ye D (2016) Shape effect of Pt/CeO2 catalysts on the catalytic oxidation of toluene. https://doi.org/10.1021/ie201243c, He C, Zhang F, Yue L, Shang X, Chen J, Hao Z (2012c) Nanometric palladium confined in mesoporous silica as efficient catalysts for toluene oxidation at low temperature. Inorg Chem 58:1324113249. J Phys Chem 74(23):41614163, Papajak E, Zheng J, Xu X et al (2011) Perspectives on basis sets beautiful: seasonal plantings of diffuse basis functions. Appl Catal A Gen 582:117107. https://doi.org/10.1016/j.apcata.2019.06.005, Genty E, Brunet J, Poupin C, Casale S, Capelle S, Massiani P, Siffert S, Cousin R (2015)Co-Al mixed oxides prepared via LDH route using microwaves or ultrasound: application for catalytic toluene total oxidation. https://doi.org/10.1016/j.apcatb.2014.08.017, Yang H, Deng J, Xie S, Jiang Y, Dai H, Tong C (2015a) Au/MnOx/3DOM SiO2: highly active catalysts for toluene oxidation. Catal Today 295:5664. J Chemother 60(3): 205-220. https:// https://doi.org/10.1007/s10874-008-9118-x, He C, Li P, Wang H, Cheng J, Zhang X, Wang Y, Hao Z (2010)Ligand-assisted preparation of highly active and stable nanometric Pd confined catalysts for deep catalytic oxidation of toluene. Appl Catal B Environ 212:5967. Ind Eng Chem Res 58:1392613934. WebThe oxidation of toluene, the most abundant aromatic compound, is believed to occur mainly via OH addition, primary organic peroxy radical (RO 2) formation, and ring Catal Today 332:153159. However, there are two centralquestions, including the requirements for photocatalysts (the value of oxidation potential \(E_{ox}^{^\circ }\)) and thermodynamically favored reaction pathway for photocatalytic toluene selective oxidation into benzaldehyde reactions that have not been addressed, which hinders from searching highly efficient photocatalysts, leading to low quantum yield and low selectivity of target products. Catal Today 332:177182. Toluene is one of the pollutants that are dangerous to the environment and human health and has been sorted into priority pollutants; hence, the control of its emission is necessary. J Catal 322:139151. https://doi.org/10.1016/S0926-3373(03)00101-2, Pan KL, Chang MB (2019) Plasma catalytic oxidation of toluene over double perovskite-type oxide via packed-bed DBD. George Zheng Chen: supervision and writingreview and editing. Tax calculation will be finalised during checkout. https://doi.org/10.1016/j.apsusc.2015.12.115, Zhu A, Zhou Y, Wang Y, Zhu Q, Liu H, Zhang Z, Lu H (2018a) Catalytic combustion of VOCs on Pt/CuMnCe and Pt/CeY honeycomb monolithic catalysts. J Hazard Mater 349:119127. Sol RRL 5(7):2100265, Dai Y, Poidevin C, Ochoa-Hernndez C et al (2020) A supported bismuth halide perovskite photocatalyst for selective aliphatic and aromatic CH bond activation. https://doi.org/10.1016/j.matlet.2017.10.048, Liu Y, Liu Y, Guo Y, Xu J, Xu X, Fang X, Liu J, Chen W, Arandiyan H, Wang X (2018b) Tuning SnO2 surface area for catalytic toluene deep oxidation: on the inherent factors determining the reactivity. Appl Catal B Environ 141:199205. Catalysts 9(4):353. https://doi.org/10.3390/catal9040353, Tan W, Deng J, Xie S, Yang H, Jiang Y, Guo G, Dai H (2015) Ce0.6Zr0.3Y0.1O2 nanorod supported gold and palladium alloy nanoparticles: high-performance catalysts for toluene oxidation. Chem Rev 119:1091610976. J Mol Catal A, Chem 414:918. https://doi.org/10.1016/j.catcom.2016.06.030, Wang Z, Liu Y, Yang T, Deng J, Xie S, Dai H (2017) Catalytic performance of cobalt oxide-supported gold-palladium nanocatalysts for the removal of toluene and o-xylene. https://doi.org/10.1016/S0926-3373(01)00174-6, Barakat T, Rooke JC, Chlala D, Cousin R, Lamonier J, Giraudon J, Casale S, Massiani P, Su B (2018) Oscillatory behavior of Pd-Au catalysts in toluene total oxidation. Mater Chem Phys 237:121852. https://doi.org/10.1016/j.matchemphys.2019.121852, Du J, Qu Z, Dong C, Song L, Qin Y, Huang N (2018)Low-temperature abatement of toluene over Mn-Ce oxides catalysts synthesized by a modified hydrothermal approach. The authors declare no competing interests. Mol Catal 443:117124. Google Scholar, Zhang Y, Liu Y, Xie S, Huang H, Guo G, Dai H (2019e) Supported ceria-modified silver catalysts with high activity and stability for toluene removal. https://doi.org/10.1021/acs.langmuir.7b02705, Kim J, Choi M, Ryoo R (2010) Effect of mesoporosity against the deactivation of MFI zeolite catalyst during the methanol-to-hydrocarbon conversion process. J Am Chem Soc 129(10):30223026, Wang T, Fang Z, Gist NW et al (2011) Computational study of the hydrolysis reactions of the ground and first excited triplet states of small TiO2 nanoclusters. Catal Today 148:8187. Chemosphere 257:127249. https://doi.org/10.1016/j.chemosphere.2020.127249, Lyu Y, Li C, Du X, Zhu Y, Zhang Y, Li S (2020) Catalytic removal of toluene over manganese oxide-based catalysts: a review. Volatile organic compounds (VOCs) are organic compounds having an initial boiling point of less than 250 C measured at a standard atmospheric pressure of 101.3 kPa, which participate in atmospheric photochemical reactions [ 1 ]. J Porous Mater:907918. Catalysis Letters Mater Res Bull 70:567572. - 94.237.105.48. (2022)Cite this article. your institution. https://doi.org/10.1016/j.apcatb.2010.06.020, Sedjame H, Fontaine C, Lafaye G, Jr JB (2014) On the promoting effect of the addition of ceria to platinum based alumina catalysts for VOCs oxidation. https://doi.org/10.1016/j.cej.2011.10.099, He C, Xu L, Yue L, Chen Y, Chen J, Hao Z (2012b) Supported nanometric Pd hierarchical catalysts for efficient toluene removal: catalyst characterization and activity elucidation. J Catal 209:341354. Appl Surf Sci 469:246252. Appl Catal B Environ 220:462470. Environ Sci Pollut Res 26:1294812962. https://doi.org/10.1016/j.micromeso.2015.11.061, Wu M, Chen S, Soomro A, Ma S, Zhu M, Hua X, Xiang W (2019a) Investigation of synergistic effects and high performance of La-Co composite oxides for toluene catalytic oxidation at low temperature. https://doi.org/10.1016/j.cattod.2009.03.007, Li J, Qu Z, Qin Y, Wang H (2016) Effect of MnO2 morphology on the catalytic oxidation of toluene over Ag/MnO2 catalysts. https://doi.org/10.1155/2016/8324826, Tomatis M, Moreira M, Xu HH, Deng W, He J, Parvez AM (2019) Removal of VOCs from waste gases using various thermal oxidizers: a comparative study based on life cycle assessment and cost analysis in China. https://doi.org/10.1016/S1004-9541(08)60275-X, Feng X, Guo J, Wen X, Xu M, Chu Y, Yuan S (2018) Enhancing performance of Co/CeO2 catalyst by Sr doping for catalytic combustion of toluene. https://doi.org/10.1016/j.jcat.2014.09.024, Xie S, Deng J, Liu Y, Zhang Z, Yang H, Jiang Y (2015b) Excellent catalytic performance, thermal stability, and water resistance of 3DOM Mn2O3-supported AuPd alloy nanoparticles for the complete oxidation of toluene. J Porous Mater 21:551563. J Chem Theory Comput 7(10):30273034, Wu W, Zhang G, Zhang J et al (2021) Aerobic oxidation of toluene and benzyl alcohol to benzaldehyde using a visible light-responsive titanium-oxide cluster. Langmuir 34(8):28492855. ACS Catal 6(6):35803588, Frisch MJ, Trucks WG, Schlegel BH et al (2013) Gaussian 09, revision D.01. https://doi.org/10.1016/j.jhazmat.2010.05.113, He C, Li J, Zhang X, Yin L, Chen J, Gao S (2012a) Highly active Pd-based catalysts with hierarchical pore structure for toluene oxidation: catalyst property and reaction determining factor. ACS Appl Mater Interfaces 11:730739. Appl Catal B Environ 33:149164. https://doi.org/10.1016/j.cattod.2017.04.055, Ryu HW, Song MY, Park JS, Kim JM, Jung SC, Song J, Kim BJ, Part YK (2019) Removal of toluene using ozone at room temperature over mesoporous Mn/Al2O3 catalysts. https://doi.org/10.1016/j.cattod.2018.07.040, Yang C, Miao G, Pi Y, Xia Q, Wu J, Li Z, Xiao J (2019b) Abatement of various types of VOCs by adsorption/catalytic oxidation: a review. https://doi.org/10.1016/j.apcatb.2015.11.020, Cui BC, Yi HH, Tang XL, Wang YE, Liu X, Li YT (2016) Status and progress of treatment technologies of toluene in industrial waste gas. Environ Sci Technol 50:45724578. Epub 2014 Jun 13. Abubakar Yusuf: conceptualization, methodology, and formal analysis. https://doi.org/10.1016/S1352-2310(02)00292-3, Cao S, Fei X, Wen Y, Sun Z, Wang H (2018) Bimodal mesoporous TiO2 supported Pt, Pd and Ru catalysts and their catalytic performance and deactivation mechanism for catalytic combustion of dichloromethane (CH2Cl2). It has observed that excellent catalytic oxidation performance due to the multiple valence state of Mn and the better oxygen transformation between transition metal The catalytic ozonation of toluene was carried out in a micro-fixed bed reactor. CAS Phys Chem Chem Phys 2(17):38773882, Zhang Z, Yang Y, Wang Y et al (2020) Revealing the A-site effect of lead-free A3Sb2Br 9 perovskite in photocatalytic C(sp3)H bond activation. J Porous Mater 24(3):621629. To solve these problems, in this work, we demonstrate the mechanisms of photocatalytic toluene selective oxidation reactions at free state, and take Ti3O6 cluster as an example to investigate mechanisms of adsorbed state on Ti3O6 cluster using density functional theory calculations. Korean J Chem Eng 33:26282637. Appl Surf Sci 445:145153. Appl Catal B Environ 195:5968. Catal Today 327:1927. PubMed Ultrason Sonochem 40:341352. J Mater Chem A 6:498509. Nat Commun 10(1):506, Article J Am Chem Soc 141(48):1911019117, Zhao L, Zhang B, Xiao X et al (2016) Roles of the active species involved in the photocatalytic oxidation of benzyl alcohol into benzaldehyde on TiO2 under UV light: experimental and DFT studies. https://doi.org/10.1016/j.cattod.2015.10.040, Zhang Q, Mo S, Chen B, Zhang W, Huang C, Ye D (2018) Hierarchical Co3O4 nanostructures in-situ grown on 3D nickel foam towards toluene oxidation. The turnover number grater than unite (2.4) indicates catalytic cycling of the Pd in the anode. Chin J Chem Eng 17:767772. Appl Surf Sci 433:10251035. https://doi.org/10.1007/s11356-019-07037-2, Ma J, Yu J, Chen W, Zeng A (2016) The effect of water on the oxidation of toluene catalyzed by molybdenum manganese complex oxide. J Clean Prod 233:808818. J Mater Sci 54(11):80968107. Appl Catal A Gen 351:8287. Appl Catal A Gen 53:251262. https://doi.org/10.1016/j.apcatb.2013.03.050, Chen C, Wang X, Zhang J, Pan S, Bian C, Wang L, Chen F, Meng X, Zheng X, Gao X, Xiao FS (2014) Superior performance in catalytic combustion of toluene over KZSM-5 zeolite supported platinum catalyst. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Phys Chem Res 6:721728. Boosting Ozone Catalytic https://doi.org/10.1007/s11705-017-1631-5, Fu J, Dong N, Ye Q, Cheng S, Kang T, Dai H (2018) Enhanced performance of the OMS-2 catalyst by Ag loading for the oxidation of benzene, toluene, and formaldehyde. Ind Eng Chem Res 54:900910. Murindababisha, Ind Eng Chem Res 57:1405214063. https://doi.org/10.1016/j.cattod.2016.12.044, Wei G, Zhang Q, Zhang D, Wang J, Tang T, Wang H, Liu X (2019) The influence of annealing temperature on copper-manganese catalyst towards the catalytic combustion of toluene: the mechanism study. Moreover, thedouble-edged sword roles of water (solute) are demonstrated. Google Scholar, Copret C (2010) CH bond activation and organometallic intermediates on isolated metal centers on oxide surfaces. Chem Sel 4:89028909, CAS https://doi.org/10.1016/S1872-2067(17)62842-0, Qin Y, Qu Z, Dong C, Wang Y, Huang N (2018) Highly catalytic activity of Mn/SBA-15 catalysts for toluene combustion improved by adjusting the morphology of supports. https://doi.org/10.15255/CABEQ.2017.1098, Ezeh CI, Tomatis M, Yang X, He J, Sun C (2018) Ultrasonic and hydrothermal mediated synthesis routes for functionalized Mg-Al LDH: comparison study on surface morphology, basic site strength, cyclic sorption efficiency and effectiveness. OOH radicals are found to be endothermic by 37.0, 25.7 and 4.9 kcal/mol, J Chemother. https://doi.org/10.1504/IJEP.2015.077177, Bendahou K, Cherif L, Sffert S, Tidahy H, Benaissa H, Aboukais A (2008) The effect of the use of lanthanum-doped mesoporous SBA-15 on the performance of Pt/SBA-15 and Pd/SBA-15 catalysts for total oxidation of toluene. Catal Today 218219:5764. https://doi.org/10.1021/acs.iecr.9b02087, Zhang XD, Wang Y, Yang YQ, Chen D (2015) Recent progress in the removal of volatile organic compounds by mesoporous silica materials and supported catalysts. J Chem Sci 130(12):113, The authors thank the Changsha Supercomputer Center for computation. The addition of the catalysts led to a 15%20% increase in toluene conversion with respect to the values obtained in the plasma, due to oxidation with ozone on the Jungang Lv: resources and conceptualization. Appl Catal A Gen 529:6067. https://doi.org/10.1021/ie00071a001, Surez-vzquez SI, Gil S, Garca-vargas JM, Cruz-lpez A, Giroir-fendler A (2018) Catalytic oxidation of toluene by SrTi1-xBxO3 (B=Cu and Mn) with dendritic morphology synthesized by one pot hydrothermal route. https://doi.org/10.1016/j.apsusc.2018.12.277, Chlala D, Giraudon J, Nuns N, Lancelot C, Vannier R (2016) Active Mn species well dispersed on Ca2+ enriched apatite for total oxidation of toluene. Appl Catal, B 209:689700. Appl Surf Sci 475:312324. Catalysts 8:596. https://doi.org/10.3390/catal8120596, Ren Q, Mo S, Peng R, Feng Z, Zhang M (2018) Controllable synthesis of 3D hierarchical Co3O4 nanocatalysts with various morphologies for the catalytic oxidation of toluene. https://doi.org/10.22036/pcr.2018.141366.1508, Peedikakkal AMP, Jimoh AA, Shaikh MN, El Ali B (2017)Mixed-metal metal-organic frameworks as catalysts for liquid-phase oxidation of toluene and cycloalkanes. J Rare Earths 37(6):602608. https://doi.org/10.1016/j.jallcom.2017.04.108, Sun H, Yu X, Yang X, Ma X, Lin M, Shao C (2019a)Au/Rod-like MnO2 catalyst via thermal decomposition of manganite precursor for the catalytic oxidation of toluene. https://doi.org/10.1021/jp1074994, Dg P, Pinard L, Magnoux P, Guisnet M (2000) Catalytic oxidation of volatile organic compounds II. J Phys Chem C 114:1866418673. https://doi.org/10.1166/jnn.2016.11020, Lee YE, Chung WC, Chang MB (2019) Photocatalytic oxidation of toluene and isopropanol by LaFeO3/black-TiO2. J Phys Chem C 12:1981819824. J Clean Prod 232:11341147. The methodology is based on solventless, mechanochemical oxidation of metallic gold with Oxone in the presence of tetraalkylammonium halide salts, to directly, rapidly (within 3060 minutes) and at room temperature convert gold metal into solid salts that are immediately soluble in pure organic solvents and aqueous alcoholic media. Catal Sci Technol 6:42604270. J Am Chem Soc 127(19):72277234, Fifen JJ, Dhaouadi Z, Nsangou M (2014) Revision of the thermodynamics of the proton in gas phase. Catal Lett 144:18511859. & Cai, MQ. Atmos Environ 36:38433849. https://doi.org/10.1007/s11356-019-04672-7, Wu M, Zhang Y, Szeto W, Pan W, Huang H, Leung DYC (2019b) Vacuum ultraviolet (VUV)-based photocatalytic oxidation for toluene degradation over pure CeO2. Catalysts 5:851867. Selective Aerobic Oxidation of Toluene in the Presence of J Nanosci Nanotechnol 16:46384642. https://doi.org/10.1016/S0920-5861(98)00179-5, Wu Z, Zhang L, Guan Q, Fu M, Ye D, Wu T (2015) Catalytic oxidation of toluene over AuCo supported on SBA-15. https://doi.org/10.1016/j.apcata.2017.10.006, Carabineiro SAC, Chen X, Martynyuk O, Bogdanchikova N, Avalos-borja M, Pestryakov A, Tavares PB, rfo JJM, Pereira MFR, Figueiredo JL (2015) Gold supported on metal oxides for volatile organic compounds total oxidation. https://doi.org/10.1021/acscatal.9b01324, Dou B, Zhao R, Yan N, Zhao C, Hao Q, Hui KS (2019) A facilitated synthesis of hierarchically porous CuCeZr catalyst using bacterial cellulose for VOCs oxidation. J Catal 269:219228. Chin J Catal 38:207216. This work is supported by the National Natural Science Foundation of China (Grant Nos. Appl Catal B Environ 180:2937. 25/TiO2 catalysts. Appl Catal B Environ 164:443452. J Phys Chem A 118(46):1109011097, Kelly CP, Cramer CJ, Truhlar DG (2007) Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide. 75Zr0. https://doi.org/10.1016/j.atmosenv.2012.03.041, Li YW, Ma WL (2021) Photocatalytic oxidation technology for indoor air pollutants elimination: a review. Appl Catal A Gen 569:6674. Environ Sci Pollut Res 26:1212312135. Environmental Science and Pollution Research https://doi.org/10.1016/S1872-2067(15)61095-6, Yang X, Yu X, Jing M, Song W, Liu J, Ge M (2018a) Defective MnxZr1xO2 solid solution for the catalytic oxidation of toluene: insights into the oxygen vacancy contribution. 2014 Jun 26;118 (25):4533-47. doi: 10.1021/jp500077f. https://doi.org/10.1016/j.cattod.2008.08.020, Huang H, Gu Y, Zhao J, Wang X (2015) Catalytic combustion of chlorobenzene over VOx/CeO2 catalysts. Chin J Catal 37:934946. your institution, https://doi.org/10.1016/j.lfs.2017.06.017, https://doi.org/10.1016/j.apcata.2015.01.026, https://doi.org/10.1016/j.matchemphys.2016.04.072, https://doi.org/10.1590/1980-5373-mr-2017-0961, https://doi.org/10.1016/S0926-3373(01)00174-6, https://doi.org/10.1016/j.cattod.2007.03.030, https://doi.org/10.1016/j.apcata.2014.12.021, https://doi.org/10.1016/j.apcata.2008.09.001, https://doi.org/10.1007/s11705-018-1738-3, https://doi.org/10.1016/S1352-2310(02)00292-3, https://doi.org/10.1016/j.apcata.2017.10.006, https://doi.org/10.1016/j.cattod.2014.06.034, https://doi.org/10.1016/j.apcatb.2014.09.027, https://doi.org/10.1016/j.apcatb.2013.03.050, https://doi.org/10.1007/s10562-014-1295-4, https://doi.org/10.1016/j.cattod.2015.02.006, https://doi.org/10.1016/j.cej.2017.07.147, https://doi.org/10.1016/j.cej.2018.03.091, https://doi.org/10.1016/j.apsusc.2019.06.009, https://doi.org/10.1016/j.apsusc.2018.12.277, https://doi.org/10.1016/j.apcatb.2015.11.020, https://doi.org/10.1016/S0926-3373(00)00135-1, https://doi.org/10.1016/j.cej.2020.124986, https://doi.org/10.1016/j.matchemphys.2019.121852, https://doi.org/10.1016/j.apsusc.2017.10.116, https://doi.org/10.1016/j.ultsonch.2017.07.013, https://doi.org/10.1016/S1004-9541(08)60275-X, https://doi.org/10.1016/j.apsusc.2018.03.070, https://doi.org/10.1016/j.cattod.2018.06.039, https://doi.org/10.1016/j.catcom.2016.05.001, https://doi.org/10.1007/s11705-017-1631-5, https://doi.org/10.1016/j.apcatb.2019.117943, https://doi.org/10.1016/j.apcata.2019.06.005, https://doi.org/10.1016/j.matpr.2016.01.069, https://doi.org/10.1016/j.apcatb.2015.06.005, https://doi.org/10.1016/j.jhazmat.2019.120905, https://doi.org/10.1021/acs.chemrev.9b00202, https://doi.org/10.1007/s10874-008-9118-x, https://doi.org/10.1016/j.jhazmat.2010.05.113, https://doi.org/10.1016/j.cej.2011.10.099, https://doi.org/10.1016/j.apcatb.2011.09.017, https://doi.org/10.1007/s10934-014-9802-y, https://doi.org/10.1016/j.cattod.2017.03.023, https://doi.org/10.1016/j.jclepro.2019.05.227, https://doi.org/10.1016/j.apcatb.2011.10.002, https://doi.org/10.1007/s10934-016-0289-6, https://doi.org/10.1016/j.cej.2017.08.110, https://doi.org/10.1016/j.cattod.2008.08.020, https://doi.org/10.1016/j.jcat.2015.02.016, https://doi.org/10.1016/j.apcata.2015.05.033, https://doi.org/10.1016/j.cattod.2016.05.012, https://doi.org/10.1016/j.atmosenv.2016.05.031, https://doi.org/10.1016/j.cej.2019.122315, https://doi.org/10.1021/acs.langmuir.7b02705, https://doi.org/10.1016/j.jcat.2009.11.009, https://doi.org/10.1007/s11356-019-05436-z, https://doi.org/10.1016/j.atmosenv.2012.03.041, https://doi.org/10.1016/j.chemosphere.2021.130667, https://doi.org/10.1016/j.cattod.2009.03.007, https://doi.org/10.1016/j.apsusc.2016.05.114, https://doi.org/10.1016/j.apsusc.2018.08.023, https://doi.org/10.1007/s11051-020-04860-4, https://doi.org/10.1088/1757-899X/392/3/032017, https://doi.org/10.1016/j.jhazmat.2013.04.007, https://doi.org/10.1016/j.jcat.2014.12.005, https://doi.org/10.1016/j.apsusc.2016.10.202, https://doi.org/10.1016/j.micromeso.2016.09.053, https://doi.org/10.1016/j.matlet.2017.10.048, https://doi.org/10.1021/acs.inorgchem.9b02518, https://doi.org/10.1021/acs.inorgchem.9b02105, https://doi.org/10.1016/j.jhazmat.2018.01.053, https://doi.org/10.1016/j.cej.2019.03.056, https://doi.org/10.1016/j.chemosphere.2020.127249, https://doi.org/10.1007/s11356-019-07037-2, https://doi.org/10.1007/s10562-016-1780-z, https://doi.org/10.1016/S0926-3373(98)00087-3, https://doi.org/10.1007/s10853-019-03450-7, https://doi.org/10.1016/j.jphotochem.2012.02.001, https://doi.org/10.1016/j.mcat.2017.09.015, https://doi.org/10.1007/s10934-015-9964-2, https://doi.org/10.1016/j.molcata.2014.02.033, https://doi.org/10.1016/j.jhazmat.2018.06.004, https://doi.org/10.1016/j.matlet.2019.126802, https://doi.org/10.1016/S0926-3373(03)00101-2, https://doi.org/10.1007/s11356-019-04714-0, https://doi.org/10.1016/j.jre.2018.10.004, https://doi.org/10.22036/pcr.2018.141366.1508, https://doi.org/10.1007/s13369-017-2452-z, https://doi.org/10.1016/j.cej.2016.08.056, https://doi.org/10.1016/j.apcatb.2017.07.048, https://doi.org/10.1016/j.apcatb.2019.117807, https://doi.org/10.1016/j.mcat.2017.10.007, https://doi.org/10.1016/j.cattod.2013.03.039, https://doi.org/10.1016/S1872-2067(15)60924-X, https://doi.org/10.1016/S1872-2067(17)62842-0, https://doi.org/10.1016/j.jes.2018.04.027, https://doi.org/10.1007/s10562-019-02975-5, https://doi.org/10.1016/j.cattod.2018.06.053, https://doi.org/10.1007/s10934-016-0159-2, https://doi.org/10.1016/j.apcatb.2016.05.008, https://doi.org/10.1016/j.apcatb.2017.04.067, https://doi.org/10.1016/j.cattod.2017.04.055, https://doi.org/10.1016/j.envres.2019.03.016, https://doi.org/10.1016/j.apcatb.2010.06.020, https://doi.org/10.1016/j.apcatb.2013.07.022, https://doi.org/10.1016/j.apcatb.2017.03.042, https://doi.org/10.1007/s11356-019-05456-9, https://doi.org/10.1016/j.apcatb.2017.04.042, https://doi.org/10.1016/j.jallcom.2017.04.108, https://doi.org/10.1016/j.cattod.2018.07.017, https://doi.org/10.1016/j.cattod.2019.05.062, https://doi.org/10.1016/S1002-0721(14)60384-7, https://doi.org/10.1007/s11814-016-0108-4, https://doi.org/10.1007/s10098-018-1583-6, https://doi.org/10.1142/S1793292016500594, https://doi.org/10.1016/j.jclepro.2019.06.131, https://doi.org/10.1007/s11144-016-1011-z, https://doi.org/10.1016/j.catcom.2016.06.030, https://doi.org/10.1016/S1872-2067(16)62569-X, https://doi.org/10.1016/j.apcata.2016.10.016, https://doi.org/10.1016/j.apsusc.2017.05.133, https://doi.org/10.1016/j.cattod.2016.12.044, https://doi.org/10.1016/j.apsusc.2019.143777, https://doi.org/10.1016/j.apsusc.2019.143747, https://doi.org/10.1016/S1872-2067(16)62514-7, https://doi.org/10.1016/S0920-5861(98)00179-5, https://doi.org/10.1016/j.materresbull.2015.05.028, https://doi.org/10.1016/j.cej.2016.04.146, https://doi.org/10.1016/j.micromeso.2015.11.061, https://doi.org/10.1007/s11356-019-04672-7, https://doi.org/10.1016/j.ces.2019.01.056, https://doi.org/10.1007/s10934-016-0298-5, https://doi.org/10.1016/j.mcat.2018.09.005, https://doi.org/10.1016/j.jcat.2014.09.024, https://doi.org/10.1016/j.apcata.2015.09.026, https://doi.org/10.1016/j.cej.2018.02.045, https://doi.org/10.1016/j.cej.2019.02.112, https://doi.org/10.1007/s10653-014-9667-7, https://doi.org/10.1016/j.apcatb.2014.08.017, https://doi.org/10.1016/j.apcata.2015.09.043, https://doi.org/10.1016/j.apcatb.2014.06.048, https://doi.org/10.1016/j.molcata.2015.12.010, https://doi.org/10.1016/S1872-2067(15)61095-6, https://doi.org/10.1016/j.cattod.2018.07.040, https://doi.org/10.1016/j.cej.2019.03.232, https://doi.org/10.1016/j.chemosphere.2018.06.064, https://doi.org/10.1016/j.jssc.2019.120976, https://doi.org/10.1016/j.chemosphere.2019.124439, https://doi.org/10.1016/j.mcat.2020.111204, https://doi.org/10.1016/j.jscs.2019.01.004, https://doi.org/10.3866/PKU.WHXB201507281, https://doi.org/10.1016/j.cattod.2015.10.040, https://doi.org/10.1016/j.mcat.2018.05.006, https://doi.org/10.1016/j.scitotenv.2019.07.223, https://doi.org/10.1016/j.jhazmat.2018.11.049, https://doi.org/10.1007/s11144-019-01616-7, https://doi.org/10.1016/j.envint.2019.04.062, https://doi.org/10.1016/j.apsusc.2018.11.060, https://doi.org/10.1007/s10853-018-2741-2, https://doi.org/10.1016/S1872-2067(19)63292-4, https://doi.org/10.1016/j.apcata.2018.10.034, https://doi.org/10.1016/j.mcat.2018.10.020, https://doi.org/10.1016/j.apcatb.2019.01.005, https://doi.org/10.1016/j.apcatb.2019.118237, https://doi.org/10.1016/S0166-9834(00)80024-X, https://doi.org/10.1016/j.apsusc.2015.12.115, https://doi.org/10.1016/j.jre.2018.03.032, https://doi.org/10.1038/s41598-019-48506-5. 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