Fe binuclear sites convert methane to acetic acid with ultrahigh selectivity

Chem - Tập 8 - Trang 1658-1672 - 2022
Bo Wu1,2, Tiejun Lin1, Zhengxing Lu3, Xing Yu1,2, Min Huang1,4, Ruoou Yang5, Caiqi Wang1,2, Chen Tian2,3, Jiong Li3, Yuhan Sun1,4, Liangshu Zhong1,4
1CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China
2University of Chinese Academy of Sciences, Beijing, 100049, China
3Shanghai Synchrotron Radiation Facility, Zhangjiang National Lab, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201204, China
4School of Physical Science and Technology, ShanghaiTech University, Shanghai, 201210, China
5State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, China

Tài liệu tham khảo

Meng, 2019, Direct methane conversion under mild condition by thermo-, electro-, or photocatalysis, Chem, 5, 2296, 10.1016/j.chempr.2019.05.008 Kiani, 2021, Methane activation by ZSM-5-Supported transition metal centers, Chem. Soc. Rev., 50, 1251, 10.1039/D0CS01016B Yu, 2021, Highly selective oxidation of methane into methanol over Cu-promoted monomeric Fe/ZSM-5, ACS Catal., 11, 6684, 10.1021/acscatal.1c00905 Bai, 2020, High-efficiency direct methane conversion to oxygenates on a cerium dioxide nanowires supported rhodium single-atom catalyst, Nat. Commun., 11, 954, 10.1038/s41467-020-14742-x Agarwal, 2017, Aqueous Au–Pd colloids catalyze selective CH4 oxidation to CH3OH with O2 under mild conditions, Science, 358, 223, 10.1126/science.aan6515 Sushkevich, 2017, Selective anaerobic oxidation of methane enables direct synthesis of methanol, Science, 356, 523, 10.1126/science.aam9035 Cui, 2018, Room-temperature methane conversion by graphene-confined single iron atoms, Chem, 4, 1902, 10.1016/j.chempr.2018.05.006 Wu, 2020, Cu single-atoms embedded in porous carbon nitride for selective oxidation of methane to oxygenates, Chem. Commun., 56, 14677, 10.1039/D0CC06492K Kim, 2021, Redox-driven restructuring of lithium molybdenum oxide nanoclusters boosts the selective oxidation of methane, Nano Energy, 82, 105704, 10.1016/j.nanoen.2020.105704 Tian, 2020, Direct conversion of methane to formaldehyde and CO on B2O3 catalysts, Nat. Commun., 11, 5693, 10.1038/s41467-020-19517-y Hammond, 2012, Direct catalytic conversion of methane to methanol in an aqueous medium by using copper-promoted Fe-ZSM-5, Angew. Chem. Int. Ed. Engl., 51, 5129, 10.1002/anie.201108706 Huang, 2016, Low-temperature transformation of methane to methanol on Pd1O4 single sites anchored on the internal surface of microporous silicate, Angew. Chem. Int. Ed. Engl., 55, 13441, 10.1002/anie.201604708 Yu, 2021, IrFe/ZSM-5 synergistic catalyst for selective oxidation of methane to formic acid, Energy Fuels, 35, 4418, 10.1021/acs.energyfuels.0c04198 Williams, 2018, Selective oxidation of methane to methanol using supported AuPd catalysts prepared by stabilizer-free sol-immobilization, ACS Catal, 8, 2567, 10.1021/acscatal.7b04417 Jin, 2020, Hydrophobic zeolite modification for in situ peroxide formation in methane oxidation to methanol, Science, 367, 193, 10.1126/science.aaw1108 Yang, 2019, Metal-organic framework-derived IrO2/CuO catalyst for selective oxidation of methane to methanol, ACS Energy Lett., 4, 2945, 10.1021/acsenergylett.9b01992 Yang, 2020, Uniphase ruthenium-iridium alloy-based electronic regulation for electronic structure-function study in methane oxidation to methanol, J. Mater. Chem. A, 8, 24024, 10.1039/D0TA08350J Qi, 2020, Selective methanol carbonylation to acetic acid on heterogeneous atomically dispersed ReO4/SiO2 catalysts, J. Am. Chem. Soc., 142, 14178, 10.1021/jacs.0c05026 Periana, 2003, Catalytic, oxidative condensation of CH4 to CH3COOH in one step via CH activation, Science, 301, 814, 10.1126/science.1086466 Shan, 2017, Mild oxidation of methane to methanol or acetic acid on supported isolated rhodium catalysts, Nature, 551, 605, 10.1038/nature24640 Tang, 2018, Single rhodium atoms anchored in micropores for efficient transformation of methane under mild conditions, Nat. Commun., 9, 1231, 10.1038/s41467-018-03235-7 Li, 2021, Direct conversion of methane to oxygenates on porous organic polymers supported Rh mononuclear complex catalyst under mild conditions, Appl. Catal. B, 293, 120208, 10.1016/j.apcatb.2021.120208 Li, 2021, Single-step selective oxidation of methane to methanol in the aqueous phase on iridium-based catalysts, Appl. Catal. B, 292, 120124, 10.1016/j.apcatb.2021.120124 Chen, 2017, Isolated single iron atoms anchored on N-doped porous carbon as an efficient electrocatalyst for the oxygen reduction reaction, Angew. Chem. Int. Ed. Engl., 56, 6937, 10.1002/anie.201702473 Zhou, 2021, Self-assembled iron-containing mordenite monolith for carbon dioxide sieving, Science, 373, 315, 10.1126/science.aax5776 Imyen, 2020, Methane utilization to methanol by a hybrid zeolite@metal-organic framework, ACS Appl. Mater. Interfaces, 12, 23812, 10.1021/acsami.0c02273 Marturano, 2001, The mechanism of formation of the Fe species in Fe/ZSM-5 prepared by CVD, Phys. Chem. Chem. Phys., 3, 5585, 10.1039/b107266h Szécsényi, 2018, Mechanistic complexity of methane oxidation with H2O2 by single-site Fe/ZSM-5 catalyst, ACS Catal., 8, 7961, 10.1021/acscatal.8b01672 Xia, 2008, Effect of extra-framework gallium on the structure of iron species in Fe/ZSM-5, J. Catal., 259, 269, 10.1016/j.jcat.2008.09.001 Wang, 2013, Identification of Fe2(μ-O) and Fe2(μ-O)2 Sites in Fe/ZSM-35 by in situ resonance Raman spectroscopy, J. Catal., 301, 77, 10.1016/j.jcat.2013.01.023 Xia, 2011, Spectroscopic evidence of extra-framework heterometallic oxo-clusters in Fe/Ga-ZSM-5 catalysts, J. Phys. Chem. Lett., 2, 190, 10.1021/jz101507s Moteki, 2020, CO-assisted direct methane conversion into C1 and C2 oxygenates over ZSM-5 supported transition and platinum group metal catalysts using oxygen as an oxidant, ChemCatChem, 12, 2957, 10.1002/cctc.202000168 Ab Rahim, 2013, Oxidation of methane to methanol with hydrogen peroxide using supported gold-palladium alloy nanoparticles, Angew. Chem. Int. Ed. Engl., 52, 1280, 10.1002/anie.201207717 Meyet, 2019, Monomeric copper(II) sites supported on alumina selectively convert methane to methanol, Angew. Chem. Int. Ed. Engl., 58, 9841, 10.1002/anie.201903802 Asadullah, 2000, Calcium-catalyzed selective and quantitative transformation of CH4 and CO into acetic acid, Angew. Chem. Int. Ed., 39, 2475, 10.1002/1521-3773(20000717)39:14<2475::AID-ANIE2475>3.0.CO;2-Y Nakamura, 2017, Photo-irradiated caffeic acid exhibits antimicrobial activity against Streptococcus mutans biofilms via hydroxyl radical formation, Sci. Rep., 7, 6353, 10.1038/s41598-017-07007-z Hammond, 2012, Catalytic and mechanistic insights of the low-temperature selective oxidation of methane over Cu-promoted Fe-ZSM-5, Chemistry, 18, 15735, 10.1002/chem.201202802 Benjamin, 2004, Methanol formation on Fe/Al-Mfi via the oxidation of methane by nitrous oxide, J. Catal., 300 Fellah, 2011, CO and NO adsorptions on different iron sites of Fe-ZSM-5 clusters: a density functional theory study, J. Phys. Chem. C, 115, 1940, 10.1021/jp107534n Rachmady, 2002, Acetic acid reduction by H2 over supported Pt catalysts: a DRIFTS and TPD/TPR study, J. Catal., 207, 317, 10.1006/jcat.2002.3556 Kresse, 1996, Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci., 6, 15, 10.1016/0927-0256(96)00008-0 Kresse, 1996, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B Condens. Matter., 54, 11169, 10.1103/PhysRevB.54.11169 Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 Blöchl, 1994, Projector augmented-wave method, Phys. Rev. B Condens. Matter., 50, 17953, 10.1103/PhysRevB.50.17953 Kresse, 1999, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758 Monkhorst, 1976, Special points for Brillouin-zone integrations, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Henkelman, 1999, A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives, J. Chem. Phys., 111, 7010, 10.1063/1.480097 Heyden, 2005, Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method, J. Chem. Phys., 123, 224101, 10.1063/1.2104507 Kästner, 2008, Superlinearly converging dimer method for transition state search, J. Chem. Phys., 128, 014106, 10.1063/1.2815812 Xiao, 2014, Solid-state dimer method for calculating solid-solid phase transitions, J. Chem. Phys., 140, 174104, 10.1063/1.4873437 Becke, 1993, Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys., 98, 5648, 10.1063/1.464913 Rassolov, 2001, 6-31G∗ basis set for third-row atoms, J. Comput. Chem., 22, 976, 10.1002/jcc.1058 Rassolov, 1998, 6-31G∗ basis set for atoms K through Zn, J. Chem. Phys., 109, 1223, 10.1063/1.476673 Frisch, 2009 Wang, 2020, Mechanism of selective and complete oxidation in La2O3-catalyzed oxidative coupling of methane, Catal. Sci. Technol., 10, 2602, 10.1039/D0CY00141D