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

Authors: Christopher Milne; Natalia Nagornova; Thomas Pope; Hui-Yuan Chen; Thomas Rossi; Jakub Szlachetko; Wojciech Gawelda; +23 Authors

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

Abstract

Data repository for "Disentangling the Evolution of Electrons and Holes in photoexcited ZnO nanoparticles", submitted to Structural Dynamics (#SDY23-AR-XAS2023-00063R). (This is an updated version after revision). 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 3. 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, which are plotted in Figure 4 and Figure 5. 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 6 and Figure S7. Folder "4 - ZnO_MD_Simulation" - This folder contains the result of ab-initio molecular dynamics simulations, which is plotted in Figure 7.

Keywords

Ultrafast spectroscopy, Ultrafast X-ray spectroscopy, X-ray absorption near edge structure, Ultrafast photoluminescence, Transition metal oxides, Photoexcited dynamics, Ab-initio molecular dynamics simulation,, Ultrafast spectroscopy, Ultrafast X-ray spectroscopy, X-ray absorption near edge structure, Ultrafast photoluminescence, Transition metal oxides, Photoexcited dynamics, Ab-initio molecular dynamics simulation,

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