idUS - Perfil del autor: Sánchez de Armas, María Rocío

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Nombre	Sánchez de Armas, María Rocío
Departamento	Química Física
Área de conocimiento	Química Física
Categoría profesional	Profesora Titular de Universidad
Correo electrónico	Solicitar

Nº publicaciones

15
Nº visitas

1049
Nº descargas

1553

Tipología

Orden

Publicaciones
Artículo 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) The deposition of a prototypical spin-crossover [Fe(phen)2(NCS)2] complex on Au(111), Cu(111) and Ag(111) surfaces has ...
Artículo 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) Guest molecules in the 3D Hofmann-type FeII spin-crossover (SCO) metal-organic frameworks modulate the magnetic properties ...
Artículo 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 ...
Artículo 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 ...
Artículo 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 ...
Artículo 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 ...
Artículo 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 ...
Artículo 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 ...
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 ...
Artículo 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 ...
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 ...
Artículo 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 ...
Artículo 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 ...
Artículo 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; Sánchez de Armas, María Rocío (AIP Publishing, 2012) In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several ...
Tesis Doctoral Simulación de la actividad del colorante en el proceso de captación de energía en celdas solares sensibilizadas Sánchez de Armas, María Rocío; Oviedo López, Jaime; Fernández Sanz, Javier; San Miguel Barrera, Miguel Ángel (2010) En este trabajo se han estudiado mediante métodos cuánticos que se describen en el capítulo 1 diferentes aspectos relacionados ...