Resultados de investigación

STM-ncAFM from IMDEA Nanociencia Institute and CATRIN under ultra-high vacuum conditions at 4K, acquired between 2018 and 03.2023, *.txt *.jpg *.docx files, *.WSxM files can be opened with Origin

(i) Multiplet calculations for TDA+Er; (ii) Point charges for multiplet calculations for TDA+Er; (iii) STM images; (iv) STS data; (v) XAS, XMCD and XLD data for TDA+Er

IMDEA Nanociencia STM laboratories

(i) Multiplet calculations for DPBP+Dy and DPBP+Er; (ii) Point charges for multiplet calculations for DPBP+Dy and DPBP+Er; (iii) STM images for DPBP+Dy and DPBP+Er; (iv) STS data for DPBP+Dy and DPBP+Er; (v) XAS, XMCD and XLD data for DPBP+Dy and DPBP+Er

Description of methods used for collection/generation of data: 2D x-ray scattering patterns were recorded using area detectors: Dectris Pilatus 1M 3S (SAXS) and a Rayonix LX255-HS (WAXS) Methods for processing the data: data reduction was performed using by using Pyton procedures (PyFy) Software- or Instrument-specific information needed to interpret the data, including software and hardware version numbers: Standards and calibration information, if appropriate: calibration files for WAXS and SAXS measurements included Environmental/experimental conditions: a setup including a microfluidic cell was implemented at the BL11 NCD-SWEET beamline of the ALBA synchrotron, File list: Calibrants Figure 1 Figure 2 Figure 3 Relationship between files: Each file contains the data and information used to generate the corresponding figures, including raw data and Pyton procedures employed for data reduction Formats and version Autodesk Fusion 360 files (.f3d): Autodesk Fusion 360 2.0.20476 x86_64 (Older versions will work). Stereolithography files (.stl): Can be opened with any 3D design programs (e.g. Windows’ Visor 3D, Blender…). Image files (.tif, .jpg): Any image reader programs should open these files (Authors recommend ImageJ-Fiji for .tif files). Data files (.txt, .dat): Can be seen with Origin, Excel or Notepad. Scattering data files (.edf): Specific X-ray Scattering programs (e.g. Fit2D) or Python scripts can read these files. Python scripts files (.py): Python: Anaconda Distribution – Spyder IDE 5.5.1 – Python 3.11.9 Specific Libraries: - Numpy 1.26.4 - Pandas 2.1.4 - Seaborn 0.13.2 - Matplotlib 3.8.0 - Os - Fabio 2024.4.0 - Scikit-learn 1.5.0

(i) Multiplet calculations for TDA+Dy, TPA+Dy, and antiprism+Dy; (ii) Point charges for multiplet calculations for TDA+Dy and TPA+Dy; (iii) STM images for TDA+Dy and TPA+D; (iv) STS data for TDA+Dy; (v) XAS, XMCD and XNLD data for TDA+Dy, TPA+Dy and Dy clusters

STM/STS data acquried at IMDEA laboratories. DFT calculations performed at Institute of Physics, Academy of Sciences of the Czech Republic, The software to open the. pxp files is Igor.

A computational tool to automatically analyze the Raman spectral features of nanomaterials. Codes and experimental data.

STM/STS data acquried at IMDEA laboratories, XAS/XMCD/XLD data acquired at ALBA Synchrotron (BOREAS beamline)., The software to open the STP files is WSxM.