Author profile: Sánchez de Armas, María Rocío
Institutional data
Name | Sánchez de Armas, María Rocío |
Department | Química Física |
Knowledge area | Química Física |
Professional category | Profesora Titular de Universidad |
Request | |
Statistics
-
No. publications
16
-
No. visits
1286
-
No. downloads
1722
Publications |
---|
Article
Exploring the impact of nanoshaped ceria in the methanol decomposition reaction pathway for clean energy production
(Elsevier, 2024)
The effect of facet exposure in ceria nanostructures on the catalytic properties of Pd/CeO₂ during methanol decomposition ... |
Article
How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
(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 ... |
Article
Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks
(Elsevier, 2023)
Guest molecules in the 3D Hofmann-type FeII spin-crossover (SCO) metal-organic frameworks modulate the magnetic properties ... |
Article
Spin-crossover Fe(ii) complexes on a surface: a mixture of low-spin and high-spin molecules at low temperature from quantum-chemistry calculations
(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 ... |
Article
Theoretical inspection of the spin-crossover [Fe(tzpy)2(NCS)2] complex on Au(100) surface
(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 ... |
Article
Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules
(Springer Nature, 2021)
Spin crossover (SCO) molecules are promising nanoscale magnetic switches due to their ability to modify their spin state ... |
Article
Spin-crossover complexes in nanoscale devices: main ingredients of the molecule–substrate interactions
(Royal Society of Chemistry, 2021)
Spin-crossover complexes embedded in nanodevices experience effects that are absent in the bulk that can modulate, quench ... |
Article
The deposition of the spin crossover Fe(II)-pyrazolylborate complex on Au(111) surface at molecular level
(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 ... |
Article
Transient Sub-nanosecond Soft X-ray NEXAFS Spectroscopy on Organic Thin Films
(American Chemical Society, 2020)
We demonstrate visible pump soft X-ray probe near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements ... |
Article
Π-Complexation for olefin/paraffin separation using aluminosilicates
(Elsevier, 2020)
The purification of the α-olefins though challenging, is mandatory step for their use in the chemical industry. Since ... |
Article
Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)2]2 molecular crystal
(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 ... |
Article
Copper-nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations
(Royal Society of Chemistry, 2019)
The molecular magnets Cu(hfac)2LR based on copper(II) and pyrazolyl-substituted nitronyl nitroxide radicals LR exhibit ... |
Article
On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study
(American Chemical Society, 2018)
Using near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, the carbon backbone of sodium copper chlorophyllin ... |
Article
Light-induced spin transitions in copper-nitroxide-based switchable molecular magnets: insights from periodic DFT+U calculations
(Wiley, 2018)
The electronic structure and magnetic interactions of three representative members of the breathing crystal Cu(hfac)2LR ... |
Article
Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
(AIP Publishing, 2012)
In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several ... |
PhD Thesis
Simulación de la actividad del colorante en el proceso de captación de energía en celdas solares sensibilizadas
(2010)
En este trabajo se han estudiado mediante métodos cuánticos que se describen en el capítulo 1 diferentes aspectos relacionados ... |