Experimental Sensing and Density Functional Theory Study of H2S and SOF2 Adsorption on Au-Modified Graphene

  1. Figure 1

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    Figure 1

    a) XRD patterns and b) Raman spectra of rGO and Au-modified GrF.

  2. Figure 2

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    Figure 2

    a) SEM image of rGO, b) SEM image of Au-modified GrF, c) TEM and HRTEM images (inset) of rGO, d) TEM and HRTEM images (inset) of Au-modified GrF, and e) EDS spectrum of Au-modified GrF.

  3. Figure 3

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    Figure 3

    XPS spectra of a) C 1s region of rGO, b) Au-modified GrF, c) C 1s region of Au-modified GrF, d) Au 4f region of Au-modified GrF, e) N 1s region of rGO, and f) Au-modified GrF.

  4. Figure 4

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    Figure 4

    Experimental transient responses of rGO sensors to a) H2S and b) SOF2, and Au-modified GrF sensors to c) H2S and d) SOF2.

  5. Figure 5

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    Figure 5

    Transient responses of rGO sensors to a) H2S, b) SOF2 flows, and Au-modified GrF sensors to c) H2S, d) SOF2 flows.

  6. Figure 6

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    Figure 6

    a) Three possible modification positions of Au atom on graphene. b) Side view of partial atomic structure for T site modification model.

  7. Figure 7

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    Figure 7

    a) Spin-polarized DOS of pristine graphene (black curve) and Au-modified GrF (red curve) and b) PDOS projected on the s orbital (blue curve) and d orbital (red curve) of Au and 2p orbital (green curve) of neighboring C.

  8. Figure 8

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    Figure 8

    Optimized configurations of single a) H2S, b) SOF2, c) 2H2S, and d) 2SOF2 adsorbed on Au-modified GrF.

  9. Figure 9

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    Figure 9

    a) Spin-polarized DOS of Au-modified GrF (dash olive curve), Au-modified GrF-H2S (solid black curve), and Au-modified GrF-2H2S (solid red curve). b) Spin-polarized DOS of Au-modified GrF (dash olive curve), Au-modified GrF-SOF2 (solid black curve), and Au-modified GrF-2SOF2 (solid red curve). The Fermi energy is set as E − Ef.

  10. Figure 10

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    Figure 10

    Correlation between sensing performance and nature of carriers for Au-modified GrF.

  11. Figure 11

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    Figure 11

    Schematic structural view of a planar sensor.