Data underlying the publication: Role of the Coreactant on the Dual-Source Behavior of Lithium Hexamethyldisilazide for ALD Li-Containing Films
DOI dataset: 10.4121/06bf96d9-18a7-4738-a1d8-efa8abbc7154
DOI publication: 10.1021/acs.jpcc.4c05987
Corresponding author: M.J. Pieters (m.j.pieters@tue.nl)
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Content description

Raw data folder contains:
	raw SE data in *.SE and *.iSE format (generated by CompleteEase software)
	raw QMS data in *.asc format
	raw XPS data in *.vgp format (generated by Avantage software)
	
Processed data folder contains:
Processed_data.xlsx file for the data in Figure 1, 2, 3, 5, 6, 7, S1, S2, S3, S4, S6, S7, S8, S9, and Table 1 and S1.

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Methodological information

Description of content of QMS raw data files:
Number of ALD cycles measured per condition, description of the ALD (half)cycle, and measured mass-to-charge (m/z) ratios (in atomic mass units)
[SR = standard recipe (full ALD cycle)]

20231129 LiHMDS H2O part 1.asc
measurement order:
10 cycles	no precursor	m/z 15, 17, 18, 146
10 cycles	no precursor	m/z 28, 29, 30, 43
10 cycles	no H2O		m/z 15, 17, 18, 146
10 cycles	no H2O		m/z 28, 29, 30, 43
10 cycles	SR 		m/z 15, 17, 18, 146

20231129 LiHMDS H2O part 2.asc
measurement order:
20 cycles	SR 		m/z 28, 29, 30, 43
20 cycles	SR 		m/z 15, 17, 18, 146
10 cycles	SR		m/z 28, 29, 30, 43

20231130 LiHMDS O2p.asc
measurement order:
10 cycles	no precursor	m/z 17, 18, 27, 29, 30
10 cycles	no precursor	m/z 32, 44, 45, 76, 146
10 cycles	no O2p		m/z 17, 18, 27, 29, 30
10 cycles	no O2p		m/z 32, 44, 45, 76, 146
10 cycles	SR 		m/z 17, 18, 27, 29, 30
10 cycles	SR 		m/z 32, 44, 45, 76, 146

20231201 LiHMDS O2p H2p.asc
measurement order:
10 cycles	no precursor	m/z 17, 18, 27, 29
10 cycles	no precursor	m/z 30, 32, 44, 146
10 cycles	no O2p and H2p	m/z 17, 18, 27, 29
10 cycles	no O2p and H2p	m/z 30, 32, 44, 146
10 cycles	no O2p 		m/z 17, 18, 27, 29
10 cycles	no O2p 		m/z 30, 32, 44, 146
10 cycles	no H2p		m/z 17, 18, 27, 29
10 cycles	no H2p		m/z 30, 32, 44, 146
10 cycles	SR 		m/z 17, 18, 27, 29
280 cycles	SR 		m/z 30, 32, 44, 146
10 cycles	SR		m/z 17, 18, 27, 29

20240201 LiHMDS H2p O2p.asc
measurement order:
20 cycles	no precursor	m/z 15, 18, 30, 44, 146
20 cycles	no O2p and H2p	m/z 15, 18, 30, 44, 146
20 cycles	no O2p 		m/z 15, 18, 30, 44, 146
20 cycles	no H2p		m/z 15, 18, 30, 44, 146
200 cycles	SR 		m/z 15, 18, 30, 44, 146


20240115 LiHMDS H2p O2p.asc
measurement order:
10 cycles	no precursor	m/z 15, 17, 18, 146
10 cycles	no precursor	m/z 30, 31, 44, 46
10 cycles	no O2p and H2p	m/z 15, 17, 18, 146
10 cycles	no O2p and H2p	m/z 30, 31, 44, 46
10 cycles	no O2p 		m/z 15, 17, 18, 146
10 cycles	no O2p 		m/z 30, 31, 44, 46
10 cycles	no H2p		m/z 15, 17, 18, 146
10 cycles	no H2p		m/z 30, 31, 44, 46
10 cycles	SR 		m/z 15, 17, 18, 146
270 cycles	SR 		m/z 30, 31, 44, 46
20 cycles	SR		m/z 15, 17, 18, 146
Only m/z=146 data is used


20241214 LiHMDS H2p O2p.asc
measurement order:
10 cycles	no precursor	m/z 15, 18, 28, 31
10 cycles	no precursor	m/z 43, 44, 45, 146
10 cycles	no O2p and H2p	m/z 15, 18, 28, 31
10 cycles	no O2p and H2p	m/z 43, 44, 45, 146
10 cycles	no O2p 		m/z 15, 18, 28, 31
10 cycles	no O2p 		m/z 43, 44, 45, 146
10 cycles	no H2p		m/z 15, 18, 28, 31
10 cycles	no H2p		m/z 43, 44, 45, 146
10 cycles	SR 		m/z 15, 18, 28, 31
100 cycles	SR 		m/z 43, 44, 45, 146
10 cycles	SR		m/z 15, 18, 28, 31
Only m/z=146 data is used


QMS data averaging method:
The QMS data measured during ALD (half)cycles was time-averaged over 9 ALD cycles to improve the signal to noise ratio.
For each condition the first cycle of the block of 10 cycles measured was not used for averaging, because the first cycle generally was different from the later cycles.
