Mostrando 10 resultados de: 13
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Journal of Physical Chemistry C(2)
2D Materials(1)
ACS Nano(1)
Chemistry - A European Journal(1)
Computational Studies of New Materials II: From Ultrafast Processes and Nanostructures to Optoelectronics, Energy Storage and Nanomedicine(1)
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Química física(7)
Ingeniería y operaciones afines(5)
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Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers
ArticleAbstract: The study of two-dimensional (2D) electronic systems is of great fundamental significance in physicsPalabras claves:Autores:Ajayan P.M., Balicas L., Capaz R.B., Ci L., Duncan John Mowbray, Jariwala D., Kurth S., Louie S.G., Rubio A., Song L., Storr K.Fuentes:googlescopusA molecular dynamics study of water nucleation using the TIP4P/2005 model
ArticleAbstract: Extensive molecular dynamics simulations were conducted using the TIP4P/2005 water model of AbascalPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes: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:googlescopusDependence of phonon widths on pressure and isotopic mass: ZnO
Conference ObjectAbstract: Considerable attention has been devoted recently to the dependence of the widths of the Raman phononPalabras claves:Autores:Cardona M., Jorge Serrano, Lauck R., Romero A.H., Rubio A., Widulle F.Fuentes:scopusDirect imaging of covalent bond structure in single-molecule chemical reactions
ArticleAbstract: Observing the intricate chemical transformation of an individual molecule as it undergoes a complexPalabras claves:Autores:Chen Y.C., Crommie M.F., de Oteyza D.G., Duncan John Mowbray, Etkin G., Fischer F.R., Gorman P., 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:googlescopusImaging single-molecule reaction intermediates stabilized by surface dissipation and entropy
ArticleAbstract: Chemical transformations at the interface between solid/liquid or solid/gaseous phases of matter liePalabras claves:Autores:Alejandro Pérez Paz, Bradley A.J., Crommie M.F., de Oteyza D.G., Fischer F.R., Gorman P., Jung H.S., Riss A., Rubio A., Tsai H.Z., Ugeda M.M., Wickenburg S.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:googlescopusVibrational properties of hexagonal boron nitride: Inelastic X-ray scattering and Ab Initio calculations
ArticleAbstract: The phonon dispersion relations of bulk hexagonal boron nitride have been determined from inelasticPalabras claves:Autores:Arenal R., Bosak A., Jorge Serrano, Kanda H., Krisch M., Rubio A., Taniguchi T., Watanabe K., Wirtz L.Fuentes:scopusSquare selenene and tellurene: Novel group VI elemental 2D materials with nontrivial topological properties
ArticleAbstract: With first principles calculations, we pbkp_redict a novel stable 2D layered structure for group VIPalabras claves:2D elemental materials, Density functional theory calculations, Semi-Dirac materials, Topological insulatorsAutores:Ajayan P.M., Alejandro Pérez Paz, Bianco E., Rubio A., Xian L.Fuentes:googlescopus