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Commensurate Superstructure of the {Cu(NO3)(H2O)}(HTae)(Bpy) Coordination Polymer: An Example of 2D Hydrogen-Bonding Networks as Magnetic Exchange Pathway
(American Chemical Society, 2016)
The average and commensurate superstructures of the one-dimensional coordination polymer {Cu(NO3)(H2O)}(HTae)(Bpy) (H(2)Tae = 1,1,2,2-tetraacetylethane, Bpy = 4,4'-bipyridine) were determined by single-crystal X-ray ...
Modelagem computacional de óxidos da família das perovskitas
(Universidade Estadual Paulista (Unesp), 2011-04-08)
Neste trabalho, aplicamos cálculos mecânicos-quânticos em sistemas periódicos utilizando a Teoria Funcional da Densidade (DFT) na descrição das propriedades estruturais e eletrônicas de óxidos metálicos tipo perovskitas: ...
Phase transition and electronic structure investigation of MoS2-reduced graphene oxide nanocomposite decorated with Au nanoparticles
(2019-09-09)
In this work a simple approach to transform MoS2 from its metallic (1T′ to semiconductor 2H) character via gold nanoparticle surface decoration of a MoS2 reduced graphene oxide (rGO) nanocomposite is proposed. The possible ...
Bulk-like behavior in the temperature driven martensitic transformation of Cu-Zn-Al thin films with 2H structure.
(Elsevier Science Sa, 2014-04-05)
This paper reports on the possibility to obtain Cu-Zn-Al films with 2H martensitic structure by fixing the valence electron concentration per atom (e/a) ≈1.53. Films with thickness of ≈ 5 um with micrometric grains show ...
Strength of J π = 1 + Gamow-Teller and isovector spin monopole transitions in double- β -decay triplets
(American Physical Society, 2014-04)
In this work we study systematically the energetics and intensity distributions of Gamow-Teller (GT±) and isovector spin monopole (IVSM±) transitions from the ground states of the pairs (76Ge, 76Se), (82Se, 82Kr), (100Mo, ...
Modelagem computacional de óxidos da família das perovskitas
(Universidade Estadual Paulista (UNESP), 2014)
Modelagem computacional de óxidos da família das perovskitas
(Universidade Estadual Paulista (Unesp), 2014)
Temperature and high-pressure dependent x-ray absorption of SmNiO 3 at the Ni K and Sm L 3 edges
(IOP Publishing, 2015-12)
We report on XANES and EXAFS measurements of SmNiO3 from 20 K to 600 K and up to 38 GPa at the Ni K- and Sm L3- edges. A multiple component pre- Ni K-edge tail is understood originating from 1s transitions to 3d-4p states ...