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Article(6)
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Physical Review B - Condensed Matter and Materials Physics(2)
Journal of Chemical Physics(1)
Journal of Physical Chemistry C(1)
Journal of Physics Condensed Matter(1)
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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:googlescopusInfra-red active dirac plasmon serie in potassium doped-graphene (Kc<inf>8</inf>) nanoribbons array on al<inf>2</inf>o<inf>3</inf> substrate
ArticleAbstract: A theoretical formulation of the electromagnetic response in graphene ribbons on dielectric substratPalabras claves:2D plasmons, Graphene ribbons, Intercalated graphene, PhotonicsAutores:Denise Andrade-Guevara, Despoja V., Jakovac J., Julio C. Chacón-Torres, Marušić L.Fuentes:scopusLCAO-TDDFT-k-ω : Spectroscopy in the optical limit
ArticleAbstract: Understanding, optimizing, and controlling the optical absorption process, exciton gemination, and ePalabras claves:Autores:Camilo Zamora-Ledezma, Despoja V., Duncan John Mowbray, Lyon K., María Rosa Preciado-RivasFuentes:scopusQuasiparticle spectra and excitons of organic molecules deposited on substrates: G 0 W 0 -BSE approach applied to benzene on graphene and metallic substrates
ArticleAbstract: We present an alternative methodology for calculating the quasiparticle energy, energy loss, and optPalabras claves:Autores:Despoja V., Duncan John Mowbray, Lončarić I., Marušić L.Fuentes:googlescopusTDDFT study of time-dependent and static screening in graphene
ArticleAbstract: Time-dependent density functional theory (TDDFT) within the random phase approximation (RPA) is usedPalabras claves:Autores:Despoja V., Duncan John Mowbray, Maruić L., Vlahović D.Fuentes:googlescopusTailoring a Molecule's Optical Absorbance Using Surface Plasmonics
ArticleAbstract: Understanding the interaction of light with molecules physisorbed on substrates is a fundamental proPalabras claves:Autores:Despoja V., Duncan John MowbrayFuentes:googlescopus