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GENERAL INFORMATION
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Date of data collection: 10/06/2022 - 13/06/2022

Geographic location of data collection: ALBA synchrotron, Cerdanyola del Vallès, Spain.

General description: X-ray absorption data for Cu0_2InSx_ZnS quantum dots and simulations

Related publication (journal paper, book, etc.): Chem. Mater. 2026, 38, 6, 2601-2612


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SHARING/ACCESS INFORMATION
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Licenses/restrictions placed on the data, or limitations of reuse: CC-BY

Links/relationships to previous or related data sets: 

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DATA & FILE OVERVIEW
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File list:
Cu:
	Cu0_2ZnInS2_ZnS.xmu
	Cu0_3InS2.xmu
	Cu0_3ZnInS2.xmu
	CuIn0_4S2.xmu
	CuZnIn0_8S2.xmu
S:
	Cu0_2ZnInS2_ZnS.xmu
	Cu0_3InS2.xmu
	Cu0_3ZnInS2.xmu
	CuIn0_4S2.xmu
	CuZnIn0_8S2.xmu
Zn:
	Cu0_2ZnInS2_ZnS.xmu
	Cu0_3ZnInS2.xmu
	CuZnIn0_8S2.xmu
	ZnS.xmu
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METHODOLOGICAL INFORMATION
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Description of methods used for collection/generation of data: 

The data was generated by the CLAESS beamline at ALBA synchrotron during a beamtime under proposal 2021095311.

Methods for processing the data: 

The data has been reduced and processed with the Athena program until obtaining the final traces. To process the data several scans have been averaged.
They should be loaded and analyzed with Athena or a similar program.

Environmental/experimental conditions:

XANES measurements in total fluorescence yield mode for QDs and transmission for the reference.

Ambient temperature and pressure. Cyclohexane colloidal suspension on a liquid cell with kapton windows. Pellet in cellulose for the reference.


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DATA-SPECIFIC INFORMATION
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Variable list, defining any abbreviations, units of measure, codes or symbols used: 

e: energy in eV
xmu: X-ray absorption
bkg: background
pre_edge: pre-edge fit
post_edge: post-edge fit
der: first derivative
sec: second derivative
chie: x-ray absorption fine structure chi(e)

interstitial: simulation of the Cu K-edge absorption on a CuInS2 sample with interstitials
pristine: simulation of the Cu K-edge absorption on a CuInS2 without defects


   
