Journal
NANOMATERIALS
Volume 11, Issue 3, Pages -Publisher
MDPI
DOI: 10.3390/nano11030560
Keywords
graphene oxide; composition; structure; XPS; theory; experiment
Categories
Funding
- National Research Foundation, Prime Minister Office, Singapore, under its Medium Sized Centre Programme [R-144-000-295-281]
- National Research Foundation, Prime Minister Office, Singapore, under CRP award Novel 2D materials with tailored properties: beyond graphene [R-144-000-295-281]
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In this study, a precise determination of the oxygen content of graphene oxide samples was achieved by combining state-of-the-art ab initio computational modeling with X-ray photoemission spectroscopy. The shift of the XPS C1s peak relative to pristine graphene was accurately described using a mathematical equation, providing a method for determining the degree of oxidation of graphene oxide.
We show that the degree of oxidation of graphene oxide (GO) can be obtained by using a combination of state-of-the-art ab initio computational modeling and X-ray photoemission spectroscopy (XPS). We show that the shift of the XPS C1s peak relative to pristine graphene, Delta E-C1s, can be described with high accuracy by Delta E-C1s = A(c(0) - c(l))(2)+E-0, where c(0) is the oxygen concentration, A = 52.3 eV, c(l) = 0.122, and E-0 = 1.22 eV. Our results demonstrate a precise determination of the oxygen content of GO samples.
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