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Proceedings of SPIE - The International Society for Optical Engineering(2)
International Journal of Modern Physics B(1)
Journal of Structural Chemistry(1)
North-Holland(1)
Surface Review and Letters(1)
Geometry of dopamine adsorption on rutile (110) surface
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:Adsorption, band-gap narrowing, DFT + U, dopamine, TiO rutile 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, J. Ontaneda Rojas, Jorge Ontaneda, Stashans A.Fuentes:googlerraaescopusDopamine adsorption configurations on anatase (101) surface
ArticleAbstract: Present work is based on the density functional theory (DFT) and generalized gradient approximationPalabras claves:Adsorption, dft+u, dopamine, TiO anatase 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, F. Marcillo, Ing. Quím. Freddy Marcillo Rivadeneira, Stashans A.Fuentes:googlerraaescopusTwenty natural organic pigments for application in dye sensitized solar cells
Conference ObjectAbstract: In this work we present the results of a study of twenty natural pigments obtained from plants and iPalabras claves:DSSCs, Natural dye, Natural pigments, solar cellsAutores:A. Guaman, A. Sánchez-Juárez, Castillo P., D. Castillo Malla, D. Obregón, D. Obregón Calderón, Darwin Patricio Castillo Malla, S. Espinosa TapiaFuentes:googlerraaescopusSimulation of iron impurity in BaTiO3 crystals
OtherAbstract: Iron-doped barium titanate (BaTiO3) has been simulated taking into account cubic and tetragonal crysPalabras claves:Autores:A. Stashans, D. Castillo Malla, Darwin Patricio Castillo MallaFuentes:googlerraaeProperties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computations
ArticleAbstract: A molecular crystal of silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) is studied using first-principles dPalabras claves:ACID, antimicrobial activity, atoms, complexes, generalized gradient approximation, OxygenAutores:A. Stashans, D. Castillo MallaFuentes:rraaeStudy of natural organic dyes as active material for fabrication of organic light emitting diodes.
ArticleAbstract: The scientific community and some sectors of industry have been working with organic dyes for succesPalabras claves:Diode, dyes, OrganicAutores:A. Sánchez-Juárez, D. Castillo Malla, D. ObregónFuentes:rraae