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Journal of Physical Chemistry C(4)
Chemistry - A European Journal(2)
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Combined experimental and ab initio study of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality
ArticleAbstract: Narrow diameter tubes and especially (6,5) tubes with a diameter of 0.75 nm are currently one of thePalabras claves:Autores:De Blauwe K., Duncan John Mowbray, Hoffmann P., Kataura H., Miyata Y., Paola A. Ayala, Pichler T., Rubio A., Shiozawa H.Fuentes:googlescopusComparing Quasiparticle H<inf>2</inf>O Level Alignment on Anatase and Rutile TiO<inf>2</inf>
ArticleAbstract: Knowledge of the alignment of molecular frontier levels in the ground state can be used to pbkp_rediPalabras claves:G W calculations 0 0, hole trapping, photocatalysis, photooxidation, Titania, water splittingAutores:Duncan John Mowbray, Migani A., Petek H., Rubio A., Sun H., Zhao J.Fuentes:scopusBimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation
ArticleAbstract: Many applications of carbon nanotubes require their chemical functionalization. Both covalent and suPalabras claves:Autores:Leret S., Navío C., Pérez E.M., Pouillon Y., Rubio A., Santiago CasadoFuentes:googlescopusAdsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)
ArticleAbstract: The tetrapyrrole macrocycle of porphine is the common core of all porphyrin molecules, an interestinPalabras claves:Autores:Alejandro Pérez Paz, Allegretti F., Auwärter W., Barth J.V., Deimel P., Ducke J., Duncan D.A., Garnica M., Lee T., Rubio A., Schwarz M., Thakur P.Fuentes:googlescopusDisentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
ArticleAbstract: Pristine single-walled carbon nanotubes (SWCNTs) are rather inert to O2 and N2, which for low dosesPalabras claves:Autores:Alejandro Pérez Paz, Dalmiglio M., Duncan John Mowbray, Goldoni A., Lacovig P., Lizzit S., Paola A. Ayala, Pichler T., Rubio A., Ruiz-Soria G., Sauer M., Yanagi K.Fuentes:googlescopusNoncovalent Dimerization after Enediyne Cyclization on Au(111)
ArticleAbstract: We investigate the thermally induced cyclization of 1,2-bis(2-phenylethynyl)benzene on Au(111) usingPalabras claves:Autores:Alejandro Pérez Paz, Chen Y.C., Crommie M.F., de Oteyza D.G., Fischer F.R., Pedramrazi Z., Riss A., Rubio A., Tsai H.Z., Wickenburg S.Fuentes:googlescopusHydrated alkali atoms on copper(111): A density functional theory study
ArticleAbstract: We present a systematic computational study of submonolayer coverage of alkali atoms (Na, K, Cs) onPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes:googlescopusLayered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation
ArticleAbstract: Intercalation of molecules into layered materials is actively researched in materials science, chemiPalabras claves:Autores:Alejandro Pérez Paz, Auwärter W., Ducke J., Garnica M., Riss A., Rubio A., Schwarz M., Seufert K.Fuentes:googlescopusPolycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
ArticleAbstract: The vast potential of organic materials for electronic, optoelectronic and spintronic devices entailPalabras claves:Autores:Alejandro Pérez Paz, Auwärter W., Berger R., Corral E., Ducke J., Feng X., Garnica M., He Y., Müllen K., Narita A., Palma C.A., Raju R., Richter M., Riss A., Rubio A., Seufert K., V. Barth J., Wang X.Y., Wuttke M.Fuentes:googlescopusSupramolecular assembly of diplatinum species through weak Pt <sup>II</sup>···Pt <sup>II</sup> intermolecular interactions: A combined experimental and computational study
ArticleAbstract: The present study elucidates the factors that govern the spontaneous self-assembly of a family of diPalabras claves:Computational chemistry, Density functional calculations, metal-metal interactions, Platinum, Supramolecular chemistryAutores:Alejandro Pérez Paz, Azani M.R., Castillo O., Espinosa Leal L.A., Givaja G., Guijarro A., Mas-Ballesté R., Rubio A., Sanz Miguel P.J., Zamora F.Fuentes:googlescopus