Studying energy materials under operating conditions by X-ray absorption spectroscopy using the new OÆSE endstation at BESSY II

For the "Predicted undulator gap offset", ID of binary files in "undulator gap detuning" folder are:

[474,475,476,477,478] for oxygen K-edge measurements with corresponding offset gap values of [20,15,10,5,-1.672]

[466,468,469,470,472,473] for nickel L23-edge measurements with corresponding offset gap values of [30,43,35,10,20,-1.672]

For the "Beam blocking between data acquisition" data, files uploaded for "maximum flux" ("high_dose_5MH3PO3.txt") and "beam blocker" ("low_dose_5MH3PO3.txt")

For the "Operation of the cell at different temperatures" data, files uploaded for 25°C ("CV_planarPt_5MH3PO3_25C.txt") and for 72°C ("CV_planarPt_5MH3PO3_72C.txt")

For the "Detuning the undulator gap minimizes the radiation-induced oxidation" plot, in the "Undulator detuning P K-edge" folder the files are:

["w_AuMesh,Ugap=6p0_I0=58nA_t=10min.txt",

"w_Aumesh_Ugap=6p15_I0=9nA_t=20min.txt",

"w_AuMesh_Ugap=6p11_I0=18nA_t=30min.txt",

"w_AuMesh_Ugap=6p05_I0=40nA_t=40min.txt"] with [100,69,31,16]% of maximum flux respectively

"aqueous_1M_H3PO3_exp_PK_XAS.txt" and "aqueous_1M_H3PO4_exp_PK_XAS.txt" are the reference spectra of aqueous 1M H3PO3 and 1M H3PO4 respectively

For the "Variation of the position of the irradiated sample", in the "NCA degradation damage" folder the files are:

[1271,1272,1273] for oxygen K-edge measurement for 1st, 2nd and 3rd scan in the same position

[1297,1298,1299] for nickel L3-edge measurement for 1st, 2nd and 3rd scan in the same position

[1304] for nickel L3-edge spectra for measurement in a new position

For the "Cu samples electrodeposited under different conditions " in the "Different Cu electrodeposition protocols" folder, the files are:

at the Cu L3-edge:

electrolyte =  "Scan_1107_2022_10_08_aq_CuSO4.sdat"

Cu2O = "Scan_2020_2022_11_02_Cu2O_in_CuSO4.sdat"

Cu = "Scan_2028_2022_11_02_Cu_in_CuSO4.sdat"

at the Cu K-edge:

electrolyte = "Scan_2007_2022_11_02_aq_CuSO4.dat"

Cu2O = "Scan_2021_2022_11_02_Cu2O_in_CuSO4.dat"

Cu = "Scan_2033_2022_11_02_Cu_in_water.dat"

and the electrochemistry:

"scan_2027" for the Cu electrodeposition

"3_ED_CA_XXX_CuSO4_RHE_YYY.mpr" for the 5 files related to the Cu2O electrodeposition

The spectromicrographs are the files:

1247 for the TFY mode

1248 for the PFY mode

The FEXRAV signals are given by the following IDs:

[1998,2002,2009] for the chemical species ["sXAS-Main peak (Cu2O)","sXAS-Secondary peak (Cu(0))","hXAS-Main peak"]