Cao, L. et al. Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2. Nature 565, 631–635 (2019).
Saavedra, J. et al. The critical role of water at the gold-titania interface in catalytic CO oxidation. Science 345, 1599–1602 (2014).
Lam, E. et al. CO2 hydrogenation on Cu/Al2O3: role of the metal/support interface in driving activity and selectivity of a bifunctional catalyst. Angew. Chem. Int. Ed. 58, 13989–13996 (2019).
Shekhar, M. et al. Size and support effects for the water–gas shift catalysis over gold nanoparticles supported on model Al2O3 and TiO2. J. Am. Chem. Soc. 134, 4700–4708 (2012).
Carrasquillo-Flores, R. et al. Reverse water–gas shift on interfacial sites formed by deposition of oxidized molybdenum moieties onto gold nanoparticles. J. Am. Chem. Soc. 137, 10317–10325 (2015).
Kattel, S., Liu, P. & Chen, J. G. Tuning selectivity of CO2 hydrogenation reactions at the metal/oxide interface. J. Am. Chem. Soc. 139, 9739–9754 (2017).
Zhao, Z. J. et al. Importance of metal–oxide interfaces in heterogeneous catalysis: a combined DFT, microkinetic, and experimental study of water–gas shift on Au/MgO. J. Catal. 345, 157–169 (2017).
Blasco, T. et al. Carbonylation of methanol on metal-acid zeolites: evidence for a mechanism involving a multisite active center. Angew. Chem. Int. Ed. 46, 3938–3941 (2007).
Campos, J. Bimetallic cooperation across the periodic table. Nat. Rev. Chem. 4, 696–702 (2020).
Hetterscheid, D. G. H. et al. Binuclear cooperative catalysts for the hydrogenation and hydroformylation of olefins. ChemCatChem 5, 2785–2793 (2013).
Garland, M. The catalytic binuclear elimination reaction: importance of non-linear kinetic effects and increased synthetic efficiency. Top. Organomet. Chem. 59, 187–231 (2015).
Alexeev, O., Shelef, M. & Gates, B. C. MgO-supported platinum–tungsten catalysts prepared from organometallic precursors: platinum clusters isolated on dispersed tungsten. J. Catal. 164, 1–15 (1996).
Matsubu, J. C. et al. Adsorbate-mediated strong metal-support interactions in oxide-supported Rh catalysts. Nat. Chem. 9, 120–127 (2017).
Lwin, S. et al. Nature of WOx sites on SiO2 and their molecular structure–reactivity/selectivity relationships for propylene metathesis. ACS Catal. 6, 3061–3071 (2016).
Matsubu, J. C., Yang, V. N. & Christopher, P. Isolated metal active site concentration and stability control catalytic CO2 reduction selectivity. J. Am. Chem. Soc. 137, 3076–3084 (2015).
Sparta, M., Børve, K. J. & Jensen, V. R. Activity of rhodium-catalyzed hydroformylation: added insight and predictions from theory. J. Am. Chem. Soc. 129, 8487–8499 (2007).
Li, C., Wang, W., Yan, L. & Ding, Y. A mini review on strategies for heterogenization of rhodium-based hydroformylation catalysts. Front. Chem. Sci. Eng. 12, 113–123 (2018).
Mol, J. C. Industrial applications of olefin metathesis. J. Mol. Catal. A 213, 39–45 (2004).
Ross-Medgaarden, E. I. & Wachs, I. E. Structural determination of bulk and surface tungsten oxides with UV–vis diffuse reflectance spectroscopy and raman spectroscopy. J. Phys. Chem. C 111, 15089–15099 (2007).
Barton, D. G. et al. Structure and electronic properties of solid acids based on tungsten oxide nanostructures. J. Phys. Chem. B 103, 630–640 (1999).
Ro, I. et al. Synthesis of heteroatom Rh-ReOx atomically dispersed species on Al2O3 and their tunable catalytic reactivity in ethylene hydroformylation. ACS Catal. 9, 10899–10912 (2019).
Rice, C. A. et al. The oxidation state of dispersed Rh on Al2O3. J. Chem. Phys. 74, 6487–6497 (1981).
Lee, S. et al. Theoretical study of ethylene hydroformylation on atomically dispersed Rh/Al2O3 catalysts: reaction mechanism and influence of ReOx promoter. ACS Catal. 11, 9506–9518 (2021).
Perez-Aguilar, J. E. et al. Isostructural atomically dispersed rhodium catalysts supported on SAPO-37 and on HY zeolite. J. Am. Chem. Soc. 142, 11474–11485 (2020).
Brundage, M. A. & Chuang, S. S. C. Experimental and modeling study of hydrogenation using deuterium step transient response during ethylene hydroformylation. J. Catal. 164, 94–108 (1996).
Lange, J. P. Performance metrics for sustainable catalysis in industry. Nat. Catal. 4, 186–192 (2021).
Digne, M. et al. Hydroxyl groups on γ-alumina surfaces: a DFT study. J. Catal. 211, 1–5 (2002).
Navidi, N., Thybaut, J. W. & Marin, G. B. Experimental investigation of ethylene hydroformylation to propanal on Rh and Co based catalysts. Appl. Catal. A 469, 357–366 (2014).
Shylesh, S. et al. In situ formation of Wilkinson-type hydroformylation catalysts: insights into the structure, stability, and kinetics of triphenylphosphine- and xantphos-modified Rh/SiO2. ACS Catal. 3, 348–357 (2013).
Whittaker, T. et al. H2 oxidation over supported Au nanoparticle catalysts: evidence for heterolytic H2 activation at the metal–support interface. J. Am. Chem. Soc. 140, 16469–16487 (2018).
Baz, A. & Holewinski, A. Understanding the interplay of bifunctional and electronic effects: microkinetic modeling of the CO electro-oxidation reaction. J. Catal. 384, 1–13 (2020).
Darby, M. T. et al. Lonely atoms with special gifts: breaking linear scaling relationships in heterogeneous catalysis with single-atom alloys. J. Phys. Chem. Lett. 9, 5636–5646 (2018).
Andersen, M. et al. Analyzing the case for bifunctional catalysis. Angew. Chem. Int. Ed. 55, 5210–5214 (2016).
Kumar, G. et al. Multicomponent catalysts: limitations and prospects. ACS Catal. 8, 3202–3208 (2018).
Qi, J. et al. Selective methanol carbonylation to acetic acid on heterogeneous atomically dispersed ReO4/SiO2 catalysts. J. Am. Chem. Soc. 142, 14178–14189 (2020).
Hoffman, A. J. et al. Theoretical and experimental characterization of adsorbed CO and NO on γ-Al2O3-supported Rh nanoparticles. J. Phys. Chem. C 125, 19733–19755 (2021).
Sirita, J., Phanichphant, S. & Meunier, F. C. Quantitative analysis of adsorbate concentrations by diffuse reflectance FT-IR. Anal. Chem. 79, 3912–3918 (2007).
Lwin, S. et al. Surface ReOx sites on Al2O3 and their molecular structure–reactivity relationships for olefin metathesis. ACS Catal. 5, 1432–1444 (2015).
Chupas, P. J. et al. A versatile sample-environment cell for non-ambient X-ray scattering experiments. J. Appl. Crystallogr. 41, 822–824 (2008).
Ravel, B. & Newville, M. ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. J. Synchrotron Radiat. 12, 537–541 (2005).
Ro, I. et al. The role of Pt-FexOy interfacial sites for CO oxidation. J. Catal. 358, 19–26 (2018).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
Grimme, S., Antony, J., Ehrlich, S. & Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H–Pu. J. Chem. Phys. 132, 154104 (2010).
Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).
Sheppard, D., Terrell, R. & Henkelman, G. Optimization methods for finding minimum energy paths. J. Chem. Phys. 128, 134106 (2008).
Sheppard, D. et al. A generalized solid-state nudged elastic band method. J. Chem. Phys. 136, 074103 (2012).
Coltrin, M. E., Kee, R. J., Rupley, F. M. & Meeks, E. SURFACE CHEMKIN-III: A Fortran Package for Analyzing Heterogeneous Chemical Kinetics at a Solid-surface–Gas-phase Interface Report SAND96-8217 (Sandia, 1996).
Lym, J., Wittreich, G. R. & Vlachos, D. G. A Python multiscale thermochemistry toolbox (pMuTT) for thermochemical and kinetic parameter estimation. Comput. Phys. Commun. 247, 106864 (2020).
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