39 citations · 85 across the 9 of their papers we have counts for
4 papers · 1 filter
Predicting Spin-Crossover Behavior in Metal-Organic Frameworks from Limited and Noisy Data Using Quantile Active Learning
Ashna Jose, Emilie Devijver, Martin Uhrin +2
Spin-crossover (SCO) metal-organic frameworks (MOFs) hold great promise for sensing, spintronics, and gas-related applications, however, only a small number of SCO-active examples…
Molecular-based coordination polymer as reversible and precise acetonitrile electro-optical readout
Esther Resines-Urien, Enrique Burzurí, Estefania Fernandez-Bartolome +5
Efficient detection of harmful organic volatile compounds is a major health and environmental need in industrialized societies. Tailor-made metal-organic frameworks and other coord…
Probing the SO adsorption mechanism in Hofmann clathrates via inelastic neutron scattering and density functional theory calculations
Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz +4
The adsorption mechanism of SO2 in the Hofmann-like coordination polymer Fe(pz)[Pt(CN)4] is studied using inelastic neutron scattering and density functional theory calculations. W…
Probing the electric field-induced doping mechanism in YBa2Cu3O7 using computed Cu K-edge x-ray absorption spectra
Roberta Poloni, Lorenzo A. Mariano, David Prendergast +1
We recently demonstrated that the superconductor-to-insulator transition induced by ionic liquid gating of the high temperature superconductor YBa2Cu3O7 (YBCO) is accompanied by a…