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Article(8)
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Physical Review B - Condensed Matter and Materials Physics(4)
Journal of Chemical Physics(1)
Journal of Physical Chemistry C(1)
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Physical Review B(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:googlescopusAb initio study of electromagnetic modes in two-dimensional semiconductors: Application to doped phosphorene
ArticleAbstract: Starting from the rigorous quantum-field-theory formalism, we derive a formula for the screened condPalabras claves:Autores:Despoja V., Duncan John Mowbray, Lyon K., Novko D.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:scopusTuning MgB<inf>2</inf>(0001) surface states through surface termination
ArticleAbstract: Surface state localization and hybridization on B, Mg, and Li terminated MgB2(0001) surfaces are stuPalabras claves:Autores:Despoja V., Duncan John Mowbray, Silkin V.M.Fuentes:googlescopusUsing surface plasmonics to turn on fullerene's dark excitons
ArticleAbstract: Using our recently proposed Bethe-Salpeter G0W0 formulation, we explore the optical absorption spectPalabras claves:Autores:Despoja V., Duncan John MowbrayFuentes:googlescopusQuasiparticle 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