ABCDEFGHIJKLMNOPQRSTUVWXYZ
1
2
Enhancing Oxygen Spectra Interpretation by Calculating Oxygen Linked to Adventitious Carbon Experimental Peaks and ResultsInput Values:
3
ExampleSample 1Sample 2Sample 3
4
A) Area Percentage of Peak A (C-C, C-H)77.2InputInputInput
5
J.D. Henderson, B.P. Payne, N.S. McIntyre, M.C. Biesinger, B) Area Percentage of Peak B (C-OH, C-O-C)12.0DataDataData
6
Surf. Interface Anal. 57 (2025) 214-220. (DOI: 10.1002/sia.7376)C) Area Percentage of Peak C (C=O)3.6↓↓↓
7
Also see: B.P. Payne (et al.) Electron Spectrosc. Relat. Phenom. 184 (2011) 29-37.D) Area Percentage of Peak D (O-C=O)7.2
8
E) Area Percentage of Peak E (CO32-)0.0
9
Background InforamationF) Amount of Carbon from Survey Spectrum62.5
10
It is sometimes necessary to have an accurate oxygen concentration that is free of any additional oxygen contribution from adventitious carbon species (such as when determining an oxygen:metal ratio). This calculator takes information from the survey and high resolution carbon 1s spectra and determines the amount of oxygen that is present from adventitious carbon species. This amount can then be deducted from the overall oxygen concentration.G) Amount of Oxygen from Survey Spectrum24.8
11
Output Values:
12
H) Atomic Percent (portion of oxygen amount from survey)14.8#VALUE!#VALUE!#VALUE!
13
I) Remaining Oxygen Amount from Survey10.1#VALUE!#VALUE!#VALUE!
14
J) Percentage of Total Oxygen from Carbon Species59.5#VALUE!#VALUE!#VALUE!
15
16
17
Peaks and Species BreakdownNotes:
18
A) Main PeakA-E) Peak areas from high-resolution carbon 1s spectrum
19
(A1)C-C,C-HNo OxygenF) Amount of Carbon from Survey – enter the atomic % amount of carbon from the survey scan quantification
20
B) Peak A + 1.4 to 1.6 eV
21
(B1)R3C-OH1 Carbon : 1 OxygenG) Amount of Oxygen from Survey - enter the atomic % amount of oxygen from the survey scan quantification
22
(B2)R3C-O-CR32 Carbon : 1 Oxygen
23
(B3)R-(C=O)-O-CR31 Carbon : 1 OxygenH) Atomic Percent (portion of Oxygen Amount from Survey) – this is the amount of oxygen, in atomic percent, that is associated with carbon.
24
C) Peak A + 2.8 to 3.0 eV
25
(C1)R2C=O1 Carbon : 1 Oxygen`I) Remaining Oxygen Amount from Survey – total amount of oxygen from the survey minus the amount of oxygen associated with carbon in atomic percent
26
D) Peak A + 3.7 to 4.3 eV
27
(D1)R-(C=O)-O-CR21 Carbon : 2 OxygenJ) Percentage of Total Oxygen from Carbon Species – this is the percentage of oxygen associated with carbon in the oxygen 1s high resolution spectrum (peak area).
28
(D2)R-(C=O)-OH1 Carbon : 2 Oxygen
29
E) Peak A + 4.0 eV to 5.5 eV
30
(E1)Carbonate (CO32-)1 Carbon : 3 OxygenExample High-Resolution Carbon 1s Spectrum:
31
32
Assumptions & Considerations:
33
1In a random adventitious carbon sample (not a known polymer!) we will assume that the amount of the two components of D will be equally split between the two species. Check that B is greater then 1/2 D - if not then this assumption cannot be valid.
34
2In a random adventitious carbon sample (not a known polymer) we will assume that the amounts of the two components B(1) and B(2) will be equally split between two species. Thus the Carbon : Oxygen ratio for these combined peaks will be 3 Carbon : 2 Oxygen. The portion B(3) that is duplicated (for oxygen) in D is removed in the calculation of B as 1/2D.
35
3Average position for carbonates is 289.3 eV +/- 0.6 eV (18 citations) (Peak A + 4.5 eV)
36
37
38
39
40
41
42
43
44
45
46
47
48
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102