Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins by Calle-Vallejo, F., Martínez, J.I., García-Lastra, J.M., Abad, E., Koper, M.T.M.

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On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides by Vojvodic, A., Calle-Vallejo, F., Guo, W., Wang, S., Toftelund, A., Studt, F., Martínez, J. I., Shen, J., Man, I. C., Rossmeisl, J., Bligaard, T., Nørskov, J. K., Abild-Pedersen, F.

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Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale by Jahnke, T., Futter, G., Latz, A., Malkow, T., Papakonstantinou, G., Tsotridis, G., Schott, P., Gérard, M., Quinaud, M., Quiroga, M., Franco, A.A., Malek, K., Calle-Vallejo, F., Ferreira de Morais, R., Kerber, T., Sautet, P., Loffreda, D., Strahl, S., Serra, M., Polverino, P., Pianese, C., Mayur, M., Bessler, W.G., Kompis, C.

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Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors by Calle-Vallejo, Federico, Tymoczko, Jakub, Colic, Viktor, Vu, Quang Huy, Pohl, Marcus D., Morgenstern, Karina, Loffreda, David, Sautet, Philippe, Schuhmann, Wolfgang, Bandarenka, Aliaksandr S.

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Tailoring structural and electronic properties of RuO2 nanotubes: a many-body approach and electronic transport by Martínez, J. I, Abad, E, Calle-Vallejo, F, Krowne, C. M, Alonso, J. A

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Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis by SU, Hai-Yan, GORLIN, Yelena, MAN, Isabela C, CALLE-VALLEJO, Federico, NØRSKOV, Jens K, JARAMILLO, Thomas F, ROSSMEISL, Jan

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Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces by Mowbray, D. J, Martínez, J. I, Calle-Vallejo, F, Rossmeisl, J, Thygesen, K. S, Jacobsen, K. W, Nørskov, J. K

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Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps by Tison, Yann, Nielsen, Kenneth, Mowbray, Duncan J, Bech, Lone, Holse, Christian, Calle-Vallejo, Federico, Andersen, Kirsten, Mortensen, Jens J, Jacobsen, Karsten W, Nielsen, Jane H

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Electro-Catalysis of Oxygen Reduction Reaction by Rossmeisl, Jan, Tripković, Vladimir, Tritsaris, George A., Calle-Vallejo, Federico

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Quantifying Local and Cooperative Components in the Ferroelectric Distortion of BaTiO 3 : Learning from the Off-Center Motion in the MnCl 6 5– Complex Formed in KCl:Mn by García-Lastra, J. M., García-Fernández, P., Calle-Vallejo, F., Trueba, A., Aramburu, J. A., Moreno, M.

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Tailoring structural and electronic properties of RuO sub(2) nanotubes: a many-body approach and electronic transport by Martinez, JI, Abad, E, Calle-Vallejo, F, Krowne, C M, Alonso, JA

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Metallicity enhancement in core–shell SiO 2 @RuO 2 nanowires by Martínez, J. I., Calle-Vallejo, F., Abad, E., Alonso, J. A.

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Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins : Surface Science under Environmental Conditi... by CALLE-VALLEJO, F, MARTINEZ, J. I, GARCIA-LASTRA, J. M, ABAD, E, KOPER, M. T. M

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Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project by Hummelshøj, J. S., Landis, D. D., Voss, J., Jiang, T., Tekin, A., Bork, N., Dułak, M., Mortensen, J. J., Adamska, L., Andersin, J., Baran, J. D., Barmparis, G. D., Bell, F., Bezanilla, A. L., Bjork, J., Björketun, M. E., Bleken, F., Buchter, F., Bürkle, M., Buus, B. B., Calborean, A., Calle-Vallejo, F., Casolo, S., Chandler, B. D., Chi, D. H., Czekaj, I, Datta, S., Datye, A., Despoja, V, Dobrin, S., Engelund, M., Ferrighi, L., Frondelius, P., Fu, Q., Fuentes, A., Fürst, J., García-Fuente, A., Gavnholt, J., Goeke, R., Gudmundsdottir, S., Hammond, K. D., Hansen, H. A., Hibbitts, D., Hobi, E., Howalt, J. G., Hruby, S. L., Huth, A., Isaeva, L., Jelic, J., Jensen, I. J. T., Kacprzak, K. A., Kelkkanen, A., Kelsey, D., Kesanakurthi, D. S., Kleis, J., Klüpfel, P. J., Konstantinov, I, Korytar, R., Koskinen, P., Krishna, C., Kunkes, E., Larsen, A. H., Lastra, J. M. G., Lin, H., Lopez-Acevedo, O., Mantega, M., Martínez, J. I., Mesa, I. N., Mowbray, D. J., Mýrdal, J. S. G., Natanzon, Y., Nistor, A., Olsen, T., Park, H., Petzold, V, Plaisance, C., Ren, H., Rizzi, M., Ronco, A. S., Saadi, S., Schoenhalz, A. L., Smedemand, M., Stausholm-Møller, O. J., Stibius, M., Strange, M., Su, H. B., Temel, B., Toftelund, A., Tripkovic, V, Vanin, M., Viswanathan, V, Vojvodic, A., Wang, S., Wellendorff, J., Thygesen, K. S., Rossmeisl, J., Bligaard, T., Jacobsen, K. W., Nørskov, J. K., Vegge, T.

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Metallicity enhancement in core-shell SiO sub(2)uO sub(2) nanowires by Martinez, JI, Calle-Vallejo, F, Abad, E, Alonso, JA

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Quantifying local and cooperative components in the ferroelectric distortion of BaTiO(3): learning from the off-center motion in the MnCl(6)(5-) complex formed in KCl:Mn(+) by García-Lastra, J M, García-Fernández, P, Calle-Vallejo, F, Trueba, A, Aramburu, J A, Moreno, M

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Tailoring the electronic structure of graphene for catalytic and nanoelectronic applications by Calle-Vallejo, F., Garcia-Lastra, J. M.

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Quantifying Local and Cooperative Components in the Ferroelectric Distortion of BaTiO3: Learning from the Off-Center Motion in the MnCl6 5– Complex Formed in KCl:Mn by García-Lastra, J. M, García-Fernández, P, Calle-Vallejo, F, Trueba, A, Aramburu, J. A, Moreno, M

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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces by Man, Isabela C., Su, Hai-Yan, Calle-Vallejo, Federico, Hansen, Heine A., Martínez, José I., Inoglu, Nilay G., Kitchin, John, Jaramillo, Thomas F., Nørskov, Jens K., Rossmeisl, Jan

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Density functional theory study of adsorption of H2O, H, O, and OH on stepped platinum surfaces by Kolb, Manuel J, Calle-Vallejo, Federico, Juurlink, Ludo B F, Koper, Marc T M

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