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Supporting Information

Supporting Information. First Principles NMR Signatures of Graphene Oxide Ning Lu, Ying Huang, Haibei Li, Zhenyu Li, Jinlong Yang Email: zyli@ustc.edu.cn. Fig. S1: Detailed chemical shifts for the model in Fig.1(a).

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Supporting Information

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  1. Supporting Information First Principles NMR Signatures of Graphene Oxide Ning Lu, Ying Huang, Haibei Li, Zhenyu Li, Jinlong Yang Email: zyli@ustc.edu.cn

  2. Fig. S1: Detailed chemical shifts for the model in Fig.1(a)

  3. Fig. S2: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.1(a)

  4. Fig. S3: Detailed chemical shifts for the model in Fig.1(b)

  5. Fig. S4: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.1(b)

  6. Fig. S5: Detailed chemical shifts for the model in Fig.1(c)

  7. Fig. S6: Detailed chemical shifts for the model in Fig.1(d)

  8. Fig. S7: Detailed chemical shifts for the model in Fig.2(a)

  9. Fig. S8: Detailed chemical shifts for the10-AGNR model corresponding to Fig.2(a)

  10. Fig. S9: Detailed chemical shifts for the model in Fig.2(b)

  11. Fig. S10: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.2(b)

  12. Fig. S11: Detailed chemical shifts for the model in Fig.2(c)

  13. Fig. S12: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.2(c)

  14. Fig. S13: Detailed chemical shifts for the model in Fig.2(d)

  15. Fig. S14: Detailed chemical shifts for the model in Fig.2(e)

  16. Fig. S15: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.2(e)

  17. Fig. S16: Detailed chemical shifts for the model in Fig.2(f)

  18. Fig. S17: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.2(f)

  19. Fig. S18: Detailed chemical shifts for the model in Fig.3(a)

  20. Fig. S19: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.3(a)

  21. Fig. S20: Detailed chemical shifts for the model in Fig.3(b)

  22. Fig. S21: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.3(b)

  23. Fig. S22: Detailed chemical shifts for the model in Fig.3(c)

  24. Fig. S23: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.3(c)

  25. Fig. S24: Detailed chemical shifts for the model in Fig.3(d)

  26. Fig. S25: Detailed chemical shifts for the 10-AGNR model corresponding to Fig.3(d)

  27. Fig. S26: Detailed chemical shifts for the model in Fig.3(e)

  28. Fig. S27: Detailed chemical shifts for the model in Fig.3(f)

  29. Fig. S28: Detailed chemical shifts for the model in Fig.4(a)

  30. Fig. S29: Detailed chemical shifts for the model in Fig.4(b)

  31. Fig. S30: Detailed chemical shifts for the model in Fig.4(c)

  32. Fig. S31: Detailed chemical shifts for the model in Fig.4(d)

  33. Fig. S32: Detailed chemical shifts for the model in Fig.5(a)

  34. Fig. S33: Detailed chemical shifts for the model in Fig.5(b)

  35. Fig. S33: Detailed chemical shifts for the model in Fig.5(c)

  36. Fig. S35: Detailed chemical shifts for the model in Fig.5(d)

  37. Fig. S36: Detailed chemical shifts for the model in Fig.5(e)

  38. Fig. S38: Detailed chemical shifts for the model in Fig.3(a) with hydroxy groups removed

  39. Fig. S37: Detailed chemical shifts for the model in Fig.3(b) with hydroxy groups removed

  40. Fig. S39: Detailed chemical shifts for the model in Fig.4(a) with epoxy groups removed

  41. Fig. S40: Detailed chemical shifts for the model in Fig.4(d) with epoxy groups removed

  42. Fig. S41: Detailed chemical shifts for clean 9- and 10-AGNR

  43. Fig. S42: Detailed chemical shifts for the model with fully-oxidized regions and sp2 carbon strips between them proposed in PRL 103, 086802 (2009)

  44. Fig. S43: The histograms of chemical shifts for the models in Fig. 4.

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