Mostrando 5 resultados de: 5
Publisher
Journal of Catalysis(1)
Journal of Chemical Physics(1)
Journal of Physical Chemistry C(1)
Physica Status Solidi (B) Basic Research(1)
Physical Chemistry Chemical Physics(1)
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:googlescopusOxidation of CO and H<inf>2</inf> by O<inf>2</inf> and N<inf>2</inf>O on Au/TiO<inf>2</inf> catalysts in microreactors
ArticleAbstract: We performed steady-state activity measurements in microreactors to obtain the reaction rates for COPalabras claves:Carbon monoxide, Catalysis, GOLD, hydrogen, Microreactor, Nanoparticles, Nitrous oxide, Oxygen, Particle size, sintering, TEMAutores:Duncan John Mowbray, Horch S., Jensen S., Jiang T., Jones G., Quaade U., Walther G.Fuentes:scopusMechanism of the initial stages of nitrogen-doped single-walled carbon nanotube growth
Conference ObjectAbstract: We have studied the mechanism of the initial stages of nitrogen-doped single-walled carbon nanotubePalabras claves:Autores:Bligaard T., Jiang T., Kauppinen E.I., Laasonen K., Lanzani G., Nasibulin A.G., Paola A. Ayala, Susi T.Fuentes:scopusMechanism study of floating catalyst CVD synthesis of SWCNTs
ArticleAbstract: Catalysis over metal nanoparticles is essential for carbon nanotube growth. Thus it is very importanPalabras claves:Chemical vapour deposition, density functional theory, mechanism, Nanoparticle, SynthesisAutores:Bligaard T., Jiang T., Kauppinen E.I., Laasonen K., Lanzani G., Nasibulin A.G., Paola A. Ayala, Pichler T., Susi T.Fuentes:scopusTrends 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:googlescopus