Interfacial charge distributions in carbon-supported palladium catalysts

Matsubu, J. C. et al. Adsorbate-mediated strong metal–support interactions in oxide-supported Rh catalysts. Nat. Chem. 9, 120–127 (2016).

Willinger, M. G. et al. A case of strong metal–support interactions: combining advanced microscopy and model systems to elucidate the atomic structure of interfaces. Angew. Chem. Int. Ed. 53, 5998–6001 (2014).

Norskov, J. K., Bligaard, T., Rossmeisl, J. & Christensen, C. H. Towards the computational design of solid catalysts. Nat. Chem. 1, 37–46 (2009).

Calle-Vallejo, F. et al. Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors. Science 350, 185–189 (2015).

Lee, I., Delbecq, F., Morales, R., Albiter, M. A. & Zaera, F. Tuning selectivity in catalysis by controlling particle shape. Nat. Mater. 8, 132–138 (2009).

Copéret, C., Chabanas, M., Petroff Saint-Arroman, R. & Basset, J.-M. Homogeneous and heterogeneous catalysis: Bridging the gap through surface organometallic chemistry. Angew. Chem. Int. Ed. 42, 156–181 (2003).

Schwab, G. M. Boundary‐layer catalysis. Angew. Chem. Int. Ed. 6, 375–375 (1967).

Gunasooriya, G. T. K. K., Seebauer, E. G. & Saeys, M. Ethylene hydrogenation over Pt/TiO2: A charge-sensitive reaction. ACS Catal. 7, 1966–1970 (2017).

Tauster, S. J. Strong metal-support interactions. Acc. Chem. Res. 20, 389–394 (1987).

Fu, Q. & Wagner, T. Interaction of nanostructured metal overlayers with oxide surfaces. Surf. Sci. Rep. 62, 431–498 (2007).

Ahmadi, M., Mistry, H. & Roldan Cuenya, B. Tailoring the catalytic properties of metal nanoparticles via support interactions. J. Phys. Chem. Lett. 7, 3519–3533 (2016).

Haller, G. L. & Resasco, D. E. in Advances in Catalysis (eds Eley, D. D., Pines, H & Weisz, P. B.) Vol. 36, 173–235 (Academic Press, 1989).

Behrens, M. et al. The active site of methanol synthesis over Cu/ZnO/Al2O3 industrial catalysts. Science 336, 893–897 (2012).

Auer, E., Freund, A., Pietsch, J. & Tacke, T. Carbons as supports for industrial precious metal catalysts. Appl. Catal. A 173, 259–271 (1998).

Su, D. S., Perathoner, S. & Centi, G. Nanocarbons for the development of advanced catalysts. Chem. Rev. 113, 5782–5816 (2013).

Zhu, J., Holmen, A. & Chen, D. Carbon nanomaterials in catalysis: proton affinity, chemical and electronic properties, and their catalytic consequences. ChemCatChem. 5, 378–401 (2013).

Perathoner, S. et al. Photoactive materials based on semiconducting nanocarbons – a challenge opening new possibilities for photocatalysis. J. Energy Chem. 26, 207–218 (2017).

Xia, W. Interactions between metal species and nitrogen-functionalized carbon nanotubes. Catal. Sci. Technol. 6, 630–644 (2016).

Arrigo, R. et al. New insights from microcalorimetry on the FeOx/CNT‐based electrocatalysts active in the conversion of CO2 to fuels. ChemSusChem. 5, 577–586 (2012).

Toebes, M. L., Prinsloo, F. F., Bitter, J. H., van Dillen, A. J. & de Jong, K. P. Influence of oxygen-containing surface groups on the activity and selectivity of carbon nanofiber-supported ruthenium catalysts in the hydrogenation of cinnamaldehyde. J. Catal. 214, 78–87 (2003).

Toebes, M. L. et al. Support effects in the hydrogenation of cinnamaldehyde over carbon nanofiber-supported platinum catalysts: Characterization and catalysis. J. Catal. 226, 215–225 (2004).

Tessonnier, J.-P., Pesant, L., Ehret, G., Ledoux, M. J. & Pham-Huu, C. Pd nanoparticles introduced inside multi-walled carbon nanotubes for selective hydrogenation of cinnamaldehyde into hydrocinnamaldehyde. Appl. Catal. A 288, 203–210 (2005).

Plomp, A. J., Vuori, H., Krause, A. O. I., de Jong, K. P. & Bitter, J. H. Particle size effects for carbon nanofiber supported platinum and ruthenium catalysts for the selective hydrogenation of cinnamaldehyde. Appl. Catal. A 351, 9–15 (2008).

Zheng, Y. et al. Hydrogen evolution by a metal-free electrocatalyst. Nat. Commun. 5, 3783 (2014).

Ito, Y., Cong, W., Fujita, T., Tang, Z. & Chen, M. High catalytic activity of nitrogen and sulfur co‐doped nanoporous graphene in the hydrogen evolution reaction. Angew. Chem. Int. Ed. 54, 2131–2136 (2015).

Su, D. S. et al. Metal‐free heterogeneous catalysis for sustainable chemistry. ChemSusChem. 3, 169–180 (2010).

Loh, K. P., Bao, Q., Eda, G. & Chhowalla, M. Graphene oxide as a chemically tunable platform for optical applications. Nat. Chem. 2, 1015–1024 (2010).

Tessonnier, J.-P. et al. Analysis of the structure and chemical properties of some commercial carbon nanostructures. Carbon. N. Y. 47, 1779–1798 (2009).

Tessonnier, J.-P. et al. Influence of the graphitisation of hollow carbon nanofibers on their functionalisation and subsequent filling with metal nanoparticles. Chem. Commun. 46, 7158–7160 (2009).

Oberlin, A. Carbonization and graphitization. Carbon. N. Y. 22, 521–541 (1984).

Rinaldi, A. et al. Dissolved carbon controls the initial stages of nanocarbon growth. Angew. Chem. Int. Ed. 50, 3313–3317 (2011).

Liu, P., Qin, R., Fu, G. & Zheng, N. Surface coordination chemistry of metal nanomaterials. J. Am. Chem. Soc. 139, 2122–2131 (2017).

Kwon, S. G. et al. Capping ligands as selectivity switchers in hydrogenation reactions. Nano Lett. 12, 5382–5388 (2012).

Kahsar, K. R., Schwartz, D. K. & Medlin, J. W. Control of metal catalyst selectivity through specific noncovalent molecular interactions. J. Am. Chem. Soc. 136, 520–526 (2014).

Jiang, F., Cai, J., Liu, B., Xu, Y. & Liu, X. Particle size effects in the selective hydrogenation of cinnamaldehyde over supported palladium catalysts. RSC Adv. 6, 75541–75551 (2016).

Durndell, L. J. et al. Selectivity control in pt-catalyzed cinnamaldehyde hydrogenation. Sci. Rep. 5, 9425 (2015).

Ide, M. S., Hao, B., Neurock, M. & Davis, R. J. Mechanistic insights on the hydrogenation of α, β-unsaturated ketones and aldehydes to unsaturated alcohols over metal catalysts. ACS Catal. 2, 671–683 (2012).

Cárdenas-Lizana, F. et al. Selective gas phase hydrogenation of p-chloronitrobenzene over pd catalysts: Role of the support. ACS Catal 3, 1386–1396 (2013).

Davis, R. J. in Catalysis for the conversion of biomass and its derivatives (eds Behrens, M. & Datye, A. K.) (Max Planck Research Library for the History and Development of Knowledge, 2013).

Seah, M. Data compilations: their use to improve measurement certainty in surface analysis by aes and xps. Surf. Interface Anal. 9, 85–98 (1986).

Blume, R. et al. Characterizing graphitic carbon with x-ray photoelectron spectroscopy: a step-by-step approach. ChemCatChem. 7, 2871–2881 (2015).

Zhao, Z. et al. Synthesis of stable shape-controlled catalytically active β-palladium hydride. J. Am. Chem. Soc. 137, 15672–15675 (2015).

Arrigo, R. et al. Pd supported on carbon nitride boosts the direct hydrogen peroxide synthesis. ACS Catal 6, 6959–6966 (2016).

Dresselhaus, M. S., Dresselhaus, G. & Saito, R. in Graphite and Precursors (ed. Delhaès, P.) Vol. 1, 25–44 (Gordon and Breach Science Publishers, 2000).

Teschner, D. et al. Alkyne hydrogenation over pd catalysts: a new paradigm. J. Catal. 242, 26–37 (2006).

Ghimbeu, C. M. et al. Understanding the mechanism of hydrogen uptake at low pressure in carbon/palladium nanostructured composites. J. Mater. Chem. 21, 17765–17775 (2011).

Liu, X. M. et al. Evidence for ambient-temperature reversible catalytic hydrogenation in pt-doped carbons. Nano. Lett. 13, 137–141 (2013).

Coloma, F., Sepulveda-Escribano, A., Fierro, J. L. G. & Rodriguez-Reinoso, F. Preparation of platinum supported on pregraphitized carbon blacks. Langmuir 10, 750–755 (1994).

Stuckert, N. R., Wang, L. & Yang, R. T. Characteristics of hydrogen storage by spillover on pt-doped carbon and catalyst-bridged metal organic framework. Langmuir 26, 11963–11971 (2010).

Dibandjo, P. et al. Hydrogen storage in hybrid nanostructured carbon/palladium materials: Influence of particle size and surface chemistry. Int. J. Hydrogen Energy 38, 952–965 (2013).

Blackburn, J. L. et al. Spectroscopic identification of hydrogen spillover species in ruthenium-modified high surface area carbons by diffuse reflectance infrared fourier transform spectroscopy. J. Phys. Chem. C 116, 26744–26755 (2012).

García-Mota, M., Bridier, B., Pérez-Ramírez, J. & López, N. Interplay between carbon monoxide, hydrides, and carbides in selective alkyne hydrogenation on palladium. J. Catal. 273, 92–102 (2010).

Johansson, M. et al. Hydrogen adsorption on palladium and palladium hydride at 1bar. Surf. Sci. 604, 718–729 (2010).

Amorim, C. & Keane, M. A. Palladium supported on structured and nonstructured carbon: A consideration of pd particle size and the nature of reactive hydrogen. J. Colloid. Interface. Sci. 322, 196–208 (2008).

Brunner, E. Solubility of hydrogen in 10 organic solvents at 298.15, 323.15, and 373.15 k. J. Chem. Eng. Data 30, 269–273 (1985).

Bhat, V. V., Contescu, C. I. & Gallego, N. C. The role of destabilization of palladium hydride in the hydrogen uptake of pd-containing activated carbons. Nanotechnology 20, 204011 (2009).

Cheng, N. et al. Platinum single-atom and cluster catalysis of the hydrogen evolution reaction. Nat. Commun. 7, 13638 (2016).

Lin, Y.-J. & Zeng, J.-J. Tuning the work function of graphene by ultraviolet irradiation. Appl. Phys. Lett. 102, 183120 (2013).

Kumar, P. V., Bernardi, M. & Grossman, J. C. The impact of functionalization on the stability, work function, and photoluminescence of reduced graphene oxide. ACS Nano 7, 1638–1645 (2013).

Knauer, M. et al. Soot structure and reactivity analysis by raman microspectroscopy, temperature-programmed oxidation, and high-resolution transmission electron microscopy. J. Phys. Chem. A 113, 13871–13880 (2009).

Bluhm, H. et al. In situ x-ray photoelectron spectroscopy studies of gas-solid interfaces at near-ambient conditions. MRS Bull 32, 1022–1030 (2007).

Yeh, J. & Lindau, I. Atomic subshell photoionization cross sections and asymmetry parameters: 1⩽z⩽103. At. Data Nucl. Data Tables 32, 1–155 (1985).

Shirley, D. A. High-resolution x-ray photoemission spectrum of the valence bands of gold. Phys. Rev. B 5, 4709 (1972).

Doniach, S. & Sunjic, M. Many-electron singularity in x-ray photoemission and x-ray line spectra from metals. J. Phys. Condens. Matter 3, 285 (1970).

Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558 (1993).

Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994).

Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).

Hammer, B., Hansen, L. B. & Nørskov, J. K. Improved adsorption energetics within density-functional theory using revised perdew-burke-ernzerhof functionals. Phys. Rev. B 59, 7413 (1999).

Lu, W. et al. Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals. J. Chem. Phys. 120, 2629–2637 (2004).

Löwdin, P. O. On the non‐orthogonality problem connected with the use of atomic wave functions in the theory of molecules and crystals. J. Chem. Phys. 18, 365–375 (1950).