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, <inline-formula><math...
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MDPI AG
2021-02-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/3/560 |
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| author | Alexandra Carvalho Mariana C. F. Costa Valeria S. Marangoni Pei Rou Ng Thi Le Hang Nguyen Antonio H. Castro Neto |
| author_facet | Alexandra Carvalho Mariana C. F. Costa Valeria S. Marangoni Pei Rou Ng Thi Le Hang Nguyen Antonio H. Castro Neto |
| author_sort | Alexandra Carvalho |
| collection | DOAJ |
| description | 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, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>E</mi><mrow><mi>C</mi><mn>1</mn><mi mathvariant="normal">s</mi></mrow></msub></mrow></semantics></math></inline-formula>, can be described with high accuracy by <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>E</mi><mrow><mi>C</mi><mn>1</mn><mi mathvariant="normal">s</mi></mrow></msub><mo>=</mo><mi>A</mi><msup><mrow><mo>(</mo><msub><mi>c</mi><mi>O</mi></msub><mo>−</mo><msub><mi>c</mi><mi>l</mi></msub><mo>)</mo></mrow><mn>2</mn></msup><mo>+</mo><msub><mi>E</mi><mn>0</mn></msub></mrow></semantics></math></inline-formula>, where <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>c</mi><mn>0</mn></msub></semantics></math></inline-formula> is the oxygen concentration, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>A</mi><mo>=</mo><mn>52.3</mn></mrow></semantics></math></inline-formula> eV, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>c</mi><mi>l</mi></msub><mo>=</mo><mn>0.122</mn></mrow></semantics></math></inline-formula>, and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mn>0</mn></msub><mo>=</mo><mn>1.22</mn></mrow></semantics></math></inline-formula> eV. Our results demonstrate a precise determination of the oxygen content of GO samples. |
| first_indexed | 2024-03-09T00:36:04Z |
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| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T00:36:04Z |
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| series | Nanomaterials |
| spelling | doaj.art-f84f6004e8684d6bbe557c3f241e951b2023-12-11T18:13:59ZengMDPI AGNanomaterials2079-49912021-02-0111356010.3390/nano11030560The Degree of Oxidation of Graphene OxideAlexandra Carvalho0Mariana C. F. Costa1Valeria S. Marangoni2Pei Rou Ng3Thi Le Hang Nguyen4Antonio H. Castro Neto5Centre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeCentre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeCentre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeCentre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeCentre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeCentre for Advanced 2D Materials, National University of Singapore, Singapore 117542, SingaporeWe 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, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>E</mi><mrow><mi>C</mi><mn>1</mn><mi mathvariant="normal">s</mi></mrow></msub></mrow></semantics></math></inline-formula>, can be described with high accuracy by <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>E</mi><mrow><mi>C</mi><mn>1</mn><mi mathvariant="normal">s</mi></mrow></msub><mo>=</mo><mi>A</mi><msup><mrow><mo>(</mo><msub><mi>c</mi><mi>O</mi></msub><mo>−</mo><msub><mi>c</mi><mi>l</mi></msub><mo>)</mo></mrow><mn>2</mn></msup><mo>+</mo><msub><mi>E</mi><mn>0</mn></msub></mrow></semantics></math></inline-formula>, where <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>c</mi><mn>0</mn></msub></semantics></math></inline-formula> is the oxygen concentration, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>A</mi><mo>=</mo><mn>52.3</mn></mrow></semantics></math></inline-formula> eV, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>c</mi><mi>l</mi></msub><mo>=</mo><mn>0.122</mn></mrow></semantics></math></inline-formula>, and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mn>0</mn></msub><mo>=</mo><mn>1.22</mn></mrow></semantics></math></inline-formula> eV. Our results demonstrate a precise determination of the oxygen content of GO samples.https://www.mdpi.com/2079-4991/11/3/560graphene oxidecompositionstructureXPStheoryexperiment |
| spellingShingle | Alexandra Carvalho Mariana C. F. Costa Valeria S. Marangoni Pei Rou Ng Thi Le Hang Nguyen Antonio H. Castro Neto The Degree of Oxidation of Graphene Oxide Nanomaterials graphene oxide composition structure XPS theory experiment |
| title | The Degree of Oxidation of Graphene Oxide |
| title_full | The Degree of Oxidation of Graphene Oxide |
| title_fullStr | The Degree of Oxidation of Graphene Oxide |
| title_full_unstemmed | The Degree of Oxidation of Graphene Oxide |
| title_short | The Degree of Oxidation of Graphene Oxide |
| title_sort | degree of oxidation of graphene oxide |
| topic | graphene oxide composition structure XPS theory experiment |
| url | https://www.mdpi.com/2079-4991/11/3/560 |
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