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Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
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Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769
Self-citationComputational high-throughput screening of electrocatalytic materials for hydrogen evolution
Greeley, J., Jaramillo, T. F., Bonde, J., Chorkendorff, I., & Nørskov, J. K. (2006) · Nature Materials · doi:10.1038/nmat1752 · Cited by 4,097
Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203
Abild-Pedersen, F., Greeley, J., Studt, F., Rossmeisl, J., Munter, T. R., Moses, P. G., Skúlason, E., Bligaard, T., & Nørskov, J. K. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.016105 · Cited by 1,678
Activity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
Peterson, A. A., & Nørskov, J. K. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz201461p · Cited by 1,667
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
Calle‐Vallejo, F., & Koper, M. T. M. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201301470 · Cited by 941
Self-citationThe nature of the active site in heterogeneous metal catalysis
Nørskov, J. K., Bligaard, T., Hvolbæk, B., Abild-Pedersen, F., Chorkendorff, I., & Christensen, C. H. (2008) · Chemical Society Reviews · doi:10.1039/b800260f · Cited by 885
Research works printed but not linked: 42
- Hammer, B. & Nørskov, J. K. in Advances in Catalysis Vol. 45 (eds Bruce, C. & Gates, H. K.) 71–129 (Academic, 2000).
- Van Santen, R. A. & Neurock, M. Concepts in theoretical heterogeneous catalytic reactivity. Catal. Rev. Sci. Eng. 37, 557–698 (1995). · DOI · Paper page
- Norskov, J. K., Bligaard, T., Rossmeisl, J. & Christensen, C. H. Towards the computational design of solid catalysts. Nature Chem. 1, 37–46 (2009). · DOI · Paper page
- Greeley, J. & Mavrikakis, M. Alloy catalysts designed from first principles. Nature Mater. 3, 810–815 (2004). · DOI · Paper page
- Montemore, M. M. & Medlin, J. W. Scaling relations between adsorption energies for computational screening and design of catalysts. Catal. Sci. Technol. 4, 3748–3761 (2014). · DOI · Paper page
- Fu, Q., Cao, X. & Luo, Y. Identification of the scaling relations for binary noble-metal nanoparticles. J. Phys. Chem. C 117, 2849–2854 (2013). · DOI
- Fernández, E. M. et al. Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces. Angew. Chem. Int. Ed. 47, 4683–4686 (2008). · DOI · Paper page
- Vojvodic, A., Hellman, A., Ruberto, C. & Lundqvist, B. I. From electronic structure to catalytic activity: a single descriptor for adsorption and reactivity on transition-metal carbides. Phys. Rev. Lett. 103, 146103 (2009). · DOI
- Calle-Vallejo, F., Martínez, J. I., García-Lastra, J. M., Abad, E. & Koper, M. T. M. Oxygen reduction and evolution at single-metal active sites: comparison between functionalized graphitic materials and protoporphyrins. Surf. Sci. 607, 47–53 (2013). · DOI
- Calle-Vallejo, F., Martinez, J. I. & Rossmeisl, J. Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions. Phys. Chem. Chem. Phys. 13, 15639–15643 (2011). · DOI · Paper page
- Calle-Vallejo, F., Martinez, J. I., Garcia-Lastra, J. M., Rossmeisl, J. & Koper, M. T. M. Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces. Phys. Rev. Lett. 108, 116103 (2012). · DOI · Paper page
- Calle-Vallejo, F. & Koper, M. T. M. First-principles computational electrochemistry: achievements and challenges. Electrochim. Acta 84, 3–11 (2012). · DOI · Paper page
- Stephens, I. E. L., Bondarenko, A. S., Gronbjerg, U., Rossmeisl, J. & Chorkendorff, I. Understanding the electrocatalysis of oxygen reduction on platinum and its alloys. Energy Environ. Sci. 5, 6744–6762 (2012). · DOI · Paper page
- Viswanathan, V., Hansen, H. A., Rossmeisl, J. & Nørskov, J. K. Universality in oxygen reduction electrocatalysis on metal surfaces. ACS Catal. 2, 1654–1660 (2012). · DOI · Paper page
- Hummelshøj, J. S., Abild-Pedersen, F., Studt, F., Bligaard, T. & Nørskov, J. K. CatApp: a web application for surface chemistry and heterogeneous catalysis. Angew. Chem. Int. Ed. 51, 272–274 (2012). · DOI
- Nie, X., Esopi, M. R., Janik, M. J. & Asthagiri, A. Selectivity of CO2 reduction on copper electrodes: the role of the kinetics of elementary steps. Angew. Chem. Int. Ed. 52, 2459–2462 (2013). · DOI · Paper page
- Karp, E. M., Silbaugh, T. L. & Campbell, C. T. Bond energies of molecular fragments to metal surfaces track their bond energies to H atoms. J. Am. Chem. Soc. 136, 4137–4140 (2014). · DOI
- Calle-Vallejo, F., Martínez, J. I., García-Lastra, J. M., Sautet, P. & Loffreda, D. Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers. Angew. Chem. Int. Ed. 53, 8316–8319 (2014). · DOI · Paper page
- Peterson, A. et al. Finite-size effects in O and CO adsorption for the late transition metals. Top. Catal. 55, 1276–1282 (2012). · DOI
- Mpourmpakis, G., Andriotis, A. N. & Vlachos, D. G. Identification of descriptors for the CO interaction with metal nanoparticles. Nano Lett. 10, 1041–1045 (2010). · doi:10.1021/nl904299c
- Li, H., Li, Y., Koper, M. T. M. & Calle-Vallejo, F. Bond-making and breaking between carbon, nitrogen, and oxygen in electrocatalysis. J. Am. Chem. Soc. 136, 15694–15701 (2014). · DOI · Paper page
- Shustorovich, E. & Sellers, H. The UBI-QEP method: a practical theoretical approach to understanding chemistry on transition metal surfaces. Surf. Sci. Rep. 31, 1–119 (1998). · DOI · Paper page
- Koper, M. T. M. Thermodynamic theory of multi-electron transfer reactions: implications for electrocatalysis. J. Electroanal. Chem. 660, 254–260 (2011). · DOI · Paper page
- Calle-Vallejo, F. et al. Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides. Chem. Sci. 4, 1245–1249 (2013). · DOI · Paper page
- Cheng, J. & Hu, P. Theory of the kinetics of chemical potentials in heterogeneous catalysis. Angew. Chem. Int. Ed. 50, 7650–7654 (2011). · doi:10.1002/anie.201101459
- Liu, B. & Greeley, J. Decomposition pathways of glycerol via C–H, O–H, and C–C bond scission on Pt(111): a density functional theory study. J. Phys. Chem. C 115, 19702–19709 (2011). · DOI · Paper page
- Salciccioli, M., Chen, Y. & Vlachos, D. G. Density functional theory-derived group additivity and linear scaling methods for prediction of oxygenate stability on metal catalysts: adsorption of open-ring alcohol and polyol dehydrogenation intermediates on Pt-based metals. J. Phys. Chem. C 114, 20155–20166 (2010). · DOI
- Michalsky, R., Zhang, Y-J., Medford, A. J. & Peterson, A. A. Departures from the adsorption energy scaling relations for metal carbide catalysts. J. Phys. Chem. C 118, 13026–13034 (2014). · DOI
- Siahrostami, S. et al. Enabling direct H2O2 production through rational electrocatalyst design. Nature Mater. 12, 1137–1143 (2013). · DOI · Paper page
- Hansen, H. A., Varley, J. B., Peterson, A. A. & Nørskov, J. K. Understanding trends in the electrocatalytic activity of metals and enzymes for CO2 reduction to CO. J. Phys. Chem. Lett. 4, 388–392 (2013). · DOI · Paper page
- Halck, N. B., Petrykin, V., Krtil, P. & Rossmeisl, J. Beyond the volcano limitations in electrocatalysis—oxygen evolution reaction. Phys. Chem. Chem. Phys. 16, 13682–13688 (2014). · DOI · Paper page
- Adić, R. R., Marković, N. M. & Vešović, V. B. Structural effects in electrocatalysis: oxygen reduction on the Au (100) single crystal electrode. J. Electroanal. Chem. Interfacial Electrochem. 165, 105–120 (1984). · DOI · Paper page
- Adžić, R. R., Strbac, S. & Anastasijević, N. Electrocatalysis of oxygen on single crystal gold electrodes. Mater. Chem. Phys. 22, 349–375 (1989). · DOI
- Gattrell, M., Gupta, N. & Co, A. A review of the aqueous electrochemical reduction of CO2 to hydrocarbons at copper. J. Electroanal. Chem. 594, 1–19 (2006). · DOI · Paper page
- Hori, Y., Takahashi, I., Koga, O. & Hoshi, N. Selective formation of C2 compounds from electrochemical reduction of CO2 at a series of copper single crystal electrodes. J. Phys. Chem. B 106, 15–17 (2001). · DOI · Paper page
- Li, H. et al. Why (100) terraces break and make bonds: oxidation of dimethyl ether on platinum single-crystal electrodes. J. Am. Chem. Soc. 135, 14329–14338 (2013). · DOI
- Vidal-Iglesias, F. J., García-Aráez, N., Montiel, V., Feliu, J. M. & Aldaz, A. Selective electrocatalysis of ammonia oxidation on Pt(100) sites in alkaline medium. Electrochem. Commun. 5, 22–26 (2003). · DOI · Paper page
- Vidal-Iglesias, F. J., Solla-Gullón, J., Montiel, V., Feliu, J. M. & Aldaz, A. Ammonia selective oxidation on Pt(100) sites in an alkaline medium. J. Phys. Chem. B 109, 12914–12919 (2005). · DOI · Paper page
- Kurth, S., Perdew, J. P. & Blaha, P. Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs. Int. J. Quantum Chem. 75, 889–909 (1999). · DOI · Paper page
- Jones, G., Studt, F., Abild-Pedersen, F., Nørskov, J. K. & Bligaard, T. Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces. Chem. Eng. Sci. 66, 6318–6323 (2011). · DOI
- Wang, S. et al. Universal transition state scaling relations for (de)hydrogenation over transition metals. Phys. Chem. Chem. Phys. 13, 20760–20765 (2011). · DOI · Paper page
- Methfessel, M. & Paxton, A. T. High-precision sampling for Brillouin-zone integration in metals. Phys. Rev. B 40, 3616–3621 (1989). · DOI · Paper page
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Metadata
- Authors
- Calle-Vallejo, F., Loffreda, D., Koper, M. T. M., & Sautet, P.
- Venue
- Nature Chemistry
- Published
- 2015-04-06
- Volume
- 7
- Issue
- 5
- Pages
- 403-410
- ISSN
- 1755-4330 (ISSN-L)
- 1755-4349
- OpenAlex
- W2061623168
- Cited by
- 824
- References
- 11
- FWCI
- 25.31
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- www.springer.com/tdm (tdm)
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