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Published July 15, 2023 | Version v2
Journal article Open

Data for "Disentangling the Evolution of Electrons and Holes in photoexcited ZnO nanoparticles"

Creators

  • 1. European XFEL, D-22761 Hamburg, Germany
  • 2. Lausanne Centre for Ultrafast Science (LACUS), ISIC, FSB, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
  • 3. Chemistry – School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, UK
  • 4. SwissFEL, Paul Scherrer Institute, 5232 Villigen-PSI, Switzerland
  • 5. Department of Physics, Technical University of Denmark, 2800 Kongens Lyngby, Denmark
  • 6. Japan Synchrotron Radiation Research Institute (JASRI), Kouto 1-1-1, Sayo, Hyogo 679-5198, Japan
  • 7. Argonne National Laboratory, 9700 S. Cass Ave., Argonne, Illinois 60439, USA
  • 8. Department of Physics and Astronomy, Uppsala University, 751 20 Uppsala, Sweden
  • 9. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan
  • 10. RIKEN SPring-8 Center, Kouto 1-1-1, Sayo, Hyogo 679-5148, Japan
  • 11. SOLARIS National Synchrotron Radiation Centre, Jagellonian University, 30-387 Krakow, Poland

Description

Data repository for "Disentangling the Evolution of Electrons and Holes in photoexcited ZnO nanoparticles", submitted to Structural Dynamics (#SDY23-AR-XAS2023-00063).

Data are divided in 4 numbered folders, organized as follows:

Folder "1 - ZnO_PL_scans": This folder contains the raw data of ultrafast photoluminescence measurement.
ZnO_full_time.pxp file (Igor Pro by WaveMetrics) is the ultrafast photoluminescence(PL) data obtained upon pumping at 4.66eV at different fluence :0.8, 2.3, 4.7, 5.4 (unit: mJ*cm-2), which are plotted in Figure 1, Figure 2, Figure S3, Figure S4, and Figure S5.
time_0312cuts.txt, zno1812corr_wn_233nm.txt, PL_cut_fit2exp.ipynb are the time delay, time trace cut at PL peak, and python code for exponential fitting, respectively, which is plotted in Figure S7.
ZnO Raman_rise.pxp contains the Raman data of water in comparison of rising of ZnO PL data, which is plotted in Figure S6.

Folder "2 - ZnO_XANES_transient": This folder contains the raw data of Zn K-edge fs-XANES transients data measured in SACLA (2ps), which are plotted in Figure 3 and Figure 4.
In the SACLA_APS_comparison_XANES.txt file:
the headers "allDiff_N", "allscaler1S3_N", "fluonorm_diff_norm", indicates the transient data measured in APS (100ps), ground-state XAS, and the transient fs-XANES data measured in SACLA(2ps), repectively.

Folder "3 - ZnO_XANES_timescan":This folder contains the fs-XANES time scan along with the fitting python code, which is plotted in Figure 5 and Figure S8.

Folder "4 - ZnO_MD_Simulation" - This folder contains the result of ab-initio molecular dynamics simulations, which is plotted in Figure 6.

Files

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Additional details

Funding

Swiss National Science Foundation
NCCR MUST: Molecular Ultrafast Science and Technology (phase III) 51NF40-183615
UK Research and Innovation
Deep Neural Networks for Real-Time Spectroscopic Analysis EP/W008009/1