Interfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections

Journal of Physics D: Applied Physics

Volumn 47, Issue 25, 2014, Pages

  Gao, Wei ^a   Xiao, Penghao ^b   Henkelman, Graeme ^b   Liechti, Kenneth M ^a   Huang, Rui ^a  

^a The University of Texas at Austin   (United States)

^b University of Texas at Austin   (United States)

Author keywords

adhesion; DFT; grapheme; silicon dioxide; van der Waals

Indexed keywords

DENSITY FUNCTIONAL THEORY; GRAPHENE; INTERFACES (MATERIALS); SILICA; SURFACE REACTIONS; VAN DER WAALS FORCES;

ATOMISTIC SIMULATIONS; DFT; EMPIRICAL FORCE FIELDS; GRAPHEME; INTERFACIAL ADHESIONS; VAN DER WAALS; VAN DER WAALS CORRECTION; VAN DER WAALS INTERACTION;

ADHESION;

EID: 84901989662     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/47/25/255301     Document Type: Article

References (53)

1. Wu Y Q, Farmer D B, Xia F N and Avouris P 2013 Proc. IEEE 101 1620
2. Koenig S P, Boddeti N G, Dunn M L and Bunch J S 2011 Nature Nanotechnol. 6 543
3. Boddeti N G, Koenig S P, Long R, Xiao J L, Bunch J S and Dunn M L 2013 J. Appl. Mech. 80 040909
4. Zong Z, Chen C L, Dokmeci M R and Wan K T 2010 J. Appl. Phys. 107 026104
5. Yoon T, Shin W C, Kim T Y, Mun J H, Kim T S and Cho B J 2012 Nano Lett. 12 1448
6. Cao Z, Wang P, Gao W, Tao L, Suk J W, Ruoff R S, Akinwande D, Huang R and Liechti K M 2014 Carbon 69 390
7. Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V and Firsov A A 2004 Science 306 666 (Pubitemid 39440910)
8. Ishigami M, Chen J H, Cullen W G, Fuhrer M S and Williams E D 2007 Nano Lett. 7 1643 (Pubitemid 47140438)
9. Aitken Z H and Huang R 2010 J. Appl. Phys. 107 123531
10. Gao W and Huang R 2011 J. Phys. D: Appl. Phys. 44 452001
11. Li T and Zhang Z 2010 J. Phys. D: Appl. Phys. 43 075303
12. Miwa R H, Schmidt T M, Scopel W L and Fazzio A 2011 Appl. Phys. Lett. 99 163108
13. Rudenko A N, Keil F J, Katsnelson M I and Lichtenstein A I 2011 Phys. Rev. B 84 085438
14. Kang Y J, Kang J and Chang K J 2008 Phys. Rev. B 78 115404
15. Shemella P and Nayak S K 2009 Appl. Phys. Lett. 94 032101
16. Hossain M Z 2009 Appl. Phys. Lett. 95 143125
17. Stolyarova E, Rim K T, Ryu S M, Maultzsch J, Kim P, Brus L E, Heinz T F, Hybertsen M S and Flynn G W 2007 Proc. Natl Acad. Sci. USA 104 9209 (Pubitemid 47185759)
18. Rignanese G M, De Vita A, Charlier J C, Gonze X and Car R 2000 Phys. Rev. B 61 13250
19. Goumans T P M, Wander A, Brown W A and Catlow C R A 2007 Phys. Chem. Chem. Phys. 9 2146
20. Cuong N T, Otani M and Okada S 2011 Phys. Rev. Lett. 106 106801
21. Fan X F, Zheng W T, Chihaia V, Shen Z X and Kuo J L 2012 J. Phys.: Condens. Matter 24 305004
22. Bucko T, Lebegue S, Hafner J and Angyan J G 2013 Phys. Rev. B 87 064110
23. Tkatchenko A and Scheffler M 2009 Phys. Rev. Lett. 102 073005
24. Klimes J, Bowler D R and Michaelides A 2010 J. Phys.: Condens. Matter 22 022201
25. Adamson A W and Gast A P 1990 Physical Chemistry of Surfaces (New York: Wiley)
26. Chen Y W and Cheng H P 2010 Appl. Phys. Lett. 97 161909
27. Yang J J and Wang E G 2006 Phys. Rev. B 73 035406 (Pubitemid 43270614)
28. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
29. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
30. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
31. Blochl P E 1994 Phys. Rev. B 50 17953
32. Baskin Y and Meyer L 1955 Phys. Rev. 100 544
33. Will G, Bellotto M, Parrish W and Hart M 1988 J. Appl. Crystallogr. 21 182
34. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
35. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
36. Rydberg H, Dion M, Jacobson N, Schroder E, Hyldgaard P, Simak S I, Langreth D C and Lundqvist B I 2003 Phys. Rev. Lett. 91 126402
37. Lundqvist B I et al 2011 Surf. Sci. 493 253
38. Vanin M, Mortensen J J, Kelkkanen A K, Garcia-Lastra J M, Thygesen K S and Jacobsen K W 2010 Phys. Rev. B 81 081408
39. Nemec L, Blum V, Rinke P and Scheffler M 2013 Phys. Rev. Lett. 111 065502
40. Grimme S 2006 J. Comput. Chem. 27 1787 (Pubitemid 44672561)
41. Dion M, Rydberg H, Schroder E, Langreth D C and Lundqvist B I 2004 Phys. Rev. Lett. 92 246401
42. Jurecka P, Sponer J, Cerny J and Hobza P 2006 Phys. Chem. Chem. Phys. 8 1985
43. Ma J, Michaelides A, Alfe D, Schimka L, Kresse G and Wang E G 2011 Phys. Rev. B 84 033402
44. Bellido E P and Seminario J M 2010 J. Phys. Chem. C 114 22472
45. Paek E and Hwang G S 2013 J. Appl. Phys. 113 164901
46. Rappe A K, Casewit C J, Colwell K S, Goddard W A and Skiff W M 1992 J. Am. Chem. Soc. 114 10024
47. Cruz-Chu E R, Aksimentiev A and Schulten K 2006 J. Phys. Chem. B 110 21497 (Pubitemid 44797243)
48. Mayo S L, Olafson B D and Goddard W A 1990 J. Phys. Chem. 94 8897
49. Zhou S Y, Gweon G H, Fedorov A V, First P N, De Heer W A, Lee D H, Guinea F, Neto A H C and Lanzara A 2007 Nature Mater. 6 770 (Pubitemid 47511278)
50. Giovannetti G, Khomyakov P A, Brocks G, Kelly P J and van den Brink J 2007 Phys. Rev. B 76 073103
51. Romero H E, Shen N, Joshi P, Gutierrez H R, Tadigadapa S A, Sofo J O and Eklund P C 2008 ACS Nano 2 2037
52. Ryu S, Liu L, Berciaud S, Yu Y J, Liu H T, Kim P, Flynn G W and Brus L E 2010 Nano Lett. 10 4944
53. Sabio J, Seoanez C, Fratini S, Guinea F, Castro A H and Sols F 2008 Phys. Rev. B 77 195409