First principles study of fluorine substitution on two-dimensional germanane

Journal of Physics Condensed Matter

Volumn 26, Issue 33, 2014, Pages

  Hu, Lin ^a   Zhao, Jin ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

chemical functionalization; first principles calculations; germanane

Indexed keywords

ELECTRONIC STRUCTURE; ENERGY GAP; FUNCTIONAL MATERIALS;

CHEMICAL FUNCTIONALIZATION; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FLUORINE SUBSTITUTION; GERMANANE; PHOTOCATALYTIC MATERIALS; SENSING APPLICATIONS;

FLUORINE;

EID: 84905485674     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/33/335302     Document Type: Article

References (35)

1. 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)
2. Novoselov K S, Geim A K, Morozov S V, Jiang D, Katsnelson M I, Grigorieva I V, Dubonos S V and Firsov A A 2005 Nature 438 197 (Pubitemid 41599867)
3. Geim A K and Novoselov K S 2007 Nature Mater. 6 183 (Pubitemid 46353764)
4. Morozov S V, Novoselov K S, Katsnelson M I, Schedin F, Elias D C, Jaszczak J A and Geim A K 2008 Phys. Rev. Lett. 100 016602 (Pubitemid 351388329)
5. Houssa M, Scalise E, Sankaran K, Pourtois G, Afanasev V and Stesmans A 2011 Appl. Phys. Lett. 98 223107
6. Kaltsas D, Tsatsoulis T, Ziogos O and Tsetseris L 2013 J. Chem. Phys. 139 124709
7. Pulci O, Gori P, Marsili M, Garbuio V, Del Sole R and Bechstedt F 2012 Europhys. Lett. 98 37004
8. Lew Yan Voon L C, Sandberg E, Aga R S and Farajian A A 2010 Appl. Phys. Lett. 97 163114
9. Wei W, Dai Y, Huang B and Jacob T 2013 Phys. Chem. Chem. Phys. 15 8789
10. Bianco E, Butler S, Jiang S, Restrepo O D, Windl W and Goldberger J E 2013 ACS Nano 7 4414
11. Bekyarova E, Itkis M E, Ramesh P, Berger C, Sprinkle M, de Heer W A and Haddon R C 2009 J. Am. Chem. Soc. 131 1336
12. Johari P and Shenoy V B 2011 ACS Nano 5 7640
13. Yan J A, Xian L and Chou M Y 2009 Phys. Rev. Lett. 103 086802
14. Eda G, Lin Y Y, Mattevi C, Yamaguchi H, Chen H A, Chen I S, Chen C W and Chhowalla M 2010 Adv. Mater. 22 505
15. Tasis D, Tagmatarchis N, Bianco A and Prato M 2006 Chem. Rev. 106 1105
16. Deak P, Rosenbauer M, Stutzmann M, Weber J and Brandt M S 1992 Phys. Rev. Lett. 69 2531
17. Wang S, Zhu L, Chen Q, Wang J and Ding F 2011 J. Appl. Phys. 109 053516
18. Lu N, Li Z and Yang J 2009 J. Phys. Chem. C 113 16741
19. Gao N, Zheng W and Jiang Q 2012 Phys. Chem. Chem. Phys. 14 257
20. Karlický F, Datta K, Otyepka M and Zbořil R 2013 ACS Nano 7 6434
21. Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15 (Pubitemid 126412269)
22. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
23. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
24. Blochl P E 1994 Phys. Rev. B 50 17953
25. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
26. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
27. Heyd J, Scuseria G E and Ernzerhof M 2006 J. Chem. Phys. 124 219906 (Pubitemid 43877849)
28. Flores M, Autreto P, Legoas S and Galvao D 2009 Nanotechnology 20 465704
29. Ni Z, Liu Q, Tang K, Zheng J, Zhou J, Qin R, Gao Z, Yu D and Lu J 2012 Nano Lett. 12 113
30. Cahangirov S, Topsakal M, Akturk E, Sahin H and Ciraci S 2009 Phys. Rev. Lett. 102 236804
31. Sahin H, Cahangirov S, Topsakal M, Bekaroglu E, Akturk E, Senger R T and Ciraci S 2009 Phys. Rev. B 80 155453
32. Wang X, Maeda K, Thomas A, Takanabe K, Xin G, Carlsson J M, Domen K and Antonietti M 2009 Nature Mater. 8 76
33. Li X, Li Z and Yang J 2014 Phys. Rev. Lett. 112 018301
34. Hou W, Tang B, Lu L, Sun J, Wang J, Qin C and Dai L 2014 RSC Adv. 4 4848
35. Srivastava R, Srivastava S, Narayanan T, Mahlotra B, Vajtai R, Ajayan P and Srivastava A 2012 ACS Nano 6 168