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Listar Artículos (Química Física) por autor "Sánchez de Armas, María Rocío"
Mostrando ítems 1-14 de 14
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Artículo
Copper-nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations
Sánchez de Armas, María Rocío; Cruz Hernández, Norge; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2019)The molecular magnets Cu(hfac)2LR based on copper(II) and pyrazolyl-substituted nitronyl nitroxide radicals LR exhibit ...
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How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
Sánchez de Armas, María Rocío; Jaber El Lala, Iman; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2023-07-31)The deposition of a prototypical spin-crossover [Fe(phen)2(NCS)2] complex on Au(111), Cu(111) and Ag(111) surfaces has ...
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Light-induced spin transitions in copper-nitroxide-based switchable molecular magnets: insights from periodic DFT+U calculations
Sánchez de Armas, María Rocío; Cruz Hernandez, Norge; Jiménez Calzado, Carmen (Wiley, 2018)The electronic structure and magnetic interactions of three representative members of the breathing crystal Cu(hfac)2LR ...
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Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
Sánchez de Armas, María Rocío; San Miguel Barrera, Miguel Ángel; Oviedo López, Jaime; Fernández Sanz, Javier (AIP Publishing, 2012-05)In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several ...
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On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study
Witte, Katharina; Mantouvalou, Ioanna; Sánchez de Armas, María Rocío; Lokstein, Heiko; Lebendig-Kuhla, Janina; Jonas, Adrian; Roth, Friedrich; Kanngießer, Birgit; Stiel, Holger (American Chemical Society, 2018)Using near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, the carbon backbone of sodium copper chlorophyllin ...
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Spin-crossover complexes in nanoscale devices: main ingredients of the molecule–substrate interactions
Sánchez de Armas, María Rocío; Montenegro Pohlhammer, Nicolás; Develioglu, Aysegul; Burzurí, Enrique; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2021)Spin-crossover complexes embedded in nanodevices experience effects that are absent in the bulk that can modulate, quench ...
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Spin-crossover Fe(ii) complexes on a surface: a mixture of low-spin and high-spin molecules at low temperature from quantum-chemistry calculations
Sánchez de Armas, María Rocío; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2022)A common feature of spin-crossover molecules deposited on a substrate is the presence of a residual proportion of high-spin ...
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Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules
Villalva, Julia; Develioglu, Aysegul; Montenegro Pohlhammer, Nicolás; Sánchez de Armas, María Rocío; Gamonal, Arturo; Rial, Eduardo; García Hernández, Mar; Ruiz González, Luisa; Sánchez Costa, José; Jiménez Calzado, Carmen; Pérez, Emilio M.; Burzuri, Enrique (Springer Nature, 2021)Spin crossover (SCO) molecules are promising nanoscale magnetic switches due to their ability to modify their spin state ...
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The deposition of the spin crossover Fe(II)-pyrazolylborate complex on Au(111) surface at molecular level
Montenegro-Pohlhammer, Nicolás; Sánchez de Armas, María Rocío; Jiménez Calzado, Carmen (Wiley, 2021)The interaction at molecular level of the spin-crossover FeII((3,5-(CH3)2Pz)3BH)2 complex with the Au(111) surface is ...
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Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks
Sánchez de Armas, María Rocío; Arias Olivares, Nelson David; Jiménez Calzado, Carmen (Elsevier, 2023-06)Guest molecules in the 3D Hofmann-type FeII spin-crossover (SCO) metal-organic frameworks modulate the magnetic properties ...
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Theoretical inspection of the spin-crossover [Fe(tzpy)2(NCS)2] complex on Au(100) surface
Palomino, Carlos M.; Sánchez de Armas, María Rocío; Jiménez Calzado, Carmen (American Institute of Physics, 2021)We explore the deposition of the spin-crossover [Fe(tzpy)2(NCS)2] complex on the Au(100) surface by means of density ...
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Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)2]2 molecular crystal
Zapata Rivera, J.; Sánchez de Armas, María Rocío; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2019)The BPY[Ni(dmit)2]2 molecular crystal synthesized by Naito and coworkers (J. Am. Chem. Soc., 2012, 134, 18656) was ...
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Transient Sub-nanosecond Soft X-ray NEXAFS Spectroscopy on Organic Thin Films
Jonas, Adrian; Dammer, Katharina; Stiel, Holger; Kanngiesser, Birgit; Sánchez de Armas, María Rocío; Mantouvalou, Ioanna (American Chemical Society, 2020)We demonstrate visible pump soft X-ray probe near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements ...
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Artículo
Π-Complexation for olefin/paraffin separation using aluminosilicates
Luna Triguero, A.; Sławek, A.; Sánchez de Armas, María Rocío; Gutiérrez Sevillano, J. J.; Ania, C. O.; Parra, J. B.; Vicent Luna, J. M.; Calero, S. (Elsevier, 2020)The purification of the α-olefins though challenging, is mandatory step for their use in the chemical industry. Since ...