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Journal of Physical Chemistry C(2)
Journal of Chemical Physics(1)
Journal of Physics: Conference Series(1)
Physical Review B - Condensed Matter and Materials Physics(1)
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Ingeniería y operaciones afines(4)
Física aplicada(2)
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Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
ArticleAbstract: We present a computational screening study of ternary metal borohydrides for reversible hydrogen stoPalabras claves:Autores:Adamska L., Andersin J., Baran J.D., Barmparis G.D., Bell F., Bezanilla A.L., Bjork J., Björketun M.E., Bleken F., Bork N., Buchter F., Bürkle M., Burton P.D., Buus B.B., Calborean A., Calle-Vallejo F., Casolo S., Chandler B.D., Chi D.H., Czekaj I., Datta S., Datye A., Delariva A., Despoja V., Dobrin S., Duak M., Duncan John Mowbray, 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., Hummelshøj J.S., Huth A., Isaeva L., Jelic J., Jensen I.J.T., Jiang 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., Landis D.D., Larsen A.H., Lastra J.M.G., Lin H., Lopez-Acevedo O., Mantega M., Martínez J.I., Mesa I.N., Mortensen J.J., Mrdal J.S.G., Natanzon Y., Nistor A., Olsen T., Park H., Pedroza L.S., Petzold V., Plaisance C., Rasmussen J.A., Ren H., Rizzi M., Ronco A.S., Rostgaard C., Saadi S., Salguero L.A., Santos E.J.G., Schoenhalz A.L., Shen J., Smedemand M., Stausholm-Møller O.J., Stibius M., Strange M., Su H.B., Tekin A., Temel B., Toftelund A., Tripkovic V., Vanin M., Viswanathan V., Vojvodic A., Voss J.Fuentes:googlescopusInfluence of O2 and N2 on the conductivity of carbon nanotube networks
ArticleAbstract: We have performed experiments on single-wall carbon nanotube (SWNT) networks and compared with densiPalabras claves:Autores:Duncan John Mowbray, Morgan C., Thygesen K.S.Fuentes:googlescopusTrends in CO oxidation rates for metal nanoparticles and close-packed, stepped, and kinked surfaces
ArticleAbstract: Using density functional theory calculations, we study trends in the CO oxidation activity for diffePalabras claves:Autores:Bligaard T., Dobrin S., Duncan John Mowbray, Falsig H., Hvolbœk B., Jiang T., Nørskov J.K.Fuentes:googlescopusQuantization of plasmon excitation in carbon nanotubes: Two-dimensional two-fluids hydrodynamic model
Conference ObjectAbstract: In this work we present a quantization of the hydrodynamic model to describe the excitation of plasmPalabras claves:Autores:Duncan John Mowbray, Gervasoni J., Misković Z.L., Néstor R., Segui S.Fuentes:googlescopusStability and electronic properties of tiO<inf>2</inf> nanostructures with and without b and n doping
ArticleAbstract: We address one of the main challenges to TiO2photocatalysis, namely band gap narrowing, by combiningPalabras claves:Autores:Duncan John Mowbray, Jacobsen K.W., Lastra G., Martínez J.I., Thygesen K.S.Fuentes:googlescopus