First-principles study of transition-metal atoms adsorption on MoS 2 monolayer

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 63, Issue , 2014, Pages 276-282

  Wang, Yanzong ^a   Wang, Baolin ^b   Huang, Rui ^a   Gao, Benling ^a   Kong, Fanjie ^b   Zhang, Qinfang ^b,c  

^a HUAIYIN INSTITUTE OF TECHNOLOGY   (China)

^b YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^c NANJING UNIVERSITY   (China)

Author keywords

Electronic structure; First principle computation; Magnetism; Transition metal

Indexed keywords

ADSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MAGNETISM; MOLYBDENUM COMPOUNDS; MONOLAYERS; SCANDIUM; TRANSITION METALS; ZINC;

ADSORPTION ENERGIES; FIRST-PRINCIPLE COMPUTATIONS; FIRST-PRINCIPLES STUDY; HEXAGONAL RINGS; HOLLOW SITES; MAGNETIC AND ELECTRONIC PROPERTIES; STABLE ADSORPTION; TRANSITION METAL ATOMS;

ATOMS;

EID: 84904103234     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2014.06.017     Document Type: Article

References (49)

1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov Science 306 2004 666
2. X. Song, J. Hu, and H. Zeng J. Mater. Chem. C 1 2013 2952
3. M. Mosleh, N.D. Atnafu, J.H. Belk, and O.M. Nobles Wear 267 2009 1220
4. J. Kibsgaard, A. Tuxen, K.G. Knudsen, M. Brorson, H. Topsoe, E. Laegsgaard, J.V. Lauritsen, and F. Besenbacher J. Catal. 272 2010 195
5. B. Radisavljevic, A. Radenovic, J. Brivio, V. Giacometti, and A. Kis Nat. Nanotechnol. 6 2011 147
6. K.F. Mak, C. Lee, J. Hone, J. Shan, and T.F. Heinz Phys. Rev. Lett. 105 2010 136805
7. J. Chen, N. Kuriyama, H. Yuan, H.T. Takeshita, and T. Sakai J. Am. Chem. Soc. 123 2001 11813
8. K. Chang, and W. Chen ACS Nano 5 2011 4720
9. K.S. Novoselov, D. Jiang, F. Schedin, T.J. Booth, V.V. Khotkevich, S.V. Morozov, and A.K. Geim Proc. Natl. Acad. Sci. USA 102 2005 10451
10. G. Cunningham, M. Lotya, C.S. Cucinotta, S. Sanvito, S.D. Bergin, R. Menzel, M.S.P. Shaffer, and J.N. Coleman ACS Nano 6 2012 3468
11. H. Matte, A. Gomathi, A.K. Manna, D.J. Late, R. Datta, S.K. Pati, and C.N.R. Rao Angew. Chem. Int. Ed. 49 2010 4059
12. Y.J. Zhan, Z. Liu, S. Najmaei, P.M. Ajayan, and J. Lou Small 8 2012 966
13. K.K. Kam, and B.A. Parkinson J. Phys. Chem. 86 1982 463
14. Y. Zhou, P. Yang, H. Zu, F. Gao, and X. Zu Phys. Chem. Chem. Phys. 15 2013 10385
15. A.N. Enyashin, M. Bar-Sadan, L. Houben, and G. Seifert J. Phys. Chem. C 117 2013 10842
16. C. Ataca, and S. Ciraci J. Phys. Chem. C 115 2011 13303
17. R. Shidpour, and M. Manteghian Nanoscale 2 2010 1429
18. Q. Yue, S. Chang, S. Qin, and J. Li Phys. Lett. A 377 2013 1362
19. A. Ramasubramaniam, and D. Naveh Phys. Rev. B 87 2013 195201
20. Y.C. Cheng, Z.Y. Zhu, W.B. Mi, Z.B. Guo, and U. Schwingenschlögl Phys. Rev. B 87 2013 100401
21. Y. Ma, Y. Dai, M. Guo, C. Niu, J. Lu, and B. Huang Phys. Chem. Chem. Phys. 13 2011 15546
22. H. Guo, T. Yang, P. Tao, Y. Wang, and Z. Zhang J. Appl. Phys. 113 2013 013709
23. S.M. Tabatabaei, M. Noei, K. Khaliji, M. Pourfath, and M. Fathipour J. Appl. Phys. 113 2013 163708
24. Q. Yue, J. Kang, Z. Shao, X. Zhang, S. Chang, G. Wang, S. Qin, and J. Li Phys. Lett. A 376 2012 1166
25. E. Scalise, M. Houssa, G. Pourtois, V.V. Afanasev, and A. Stesmans Nano Res. 5 2012 43
26. P. Lu, X. Wu, W. Guo, and X.C. Zeng Phys. Chem. Chem. Phys. 14 2012 13035
27. Y. Chen, J. Xi, D.O. Dumcenco, Z. Liu, K. Suenaga, D. Wang, Z. Shuai, Y.-S. Huang, and L. Xie ACS Nano 7 2013 4610
28. Z. Huang, G. Hao, C. He, H. Yang, L. Xue, X. Qi, X. Peng, and J. Zhong J. Appl. Phys. 114 2013 083706
29. J.G. He, K.C. Wu, R.J. Sa, Q.H. Li, and Y.Q. Wei Appl. Phys. Lett. 96 2010 082504
30. K.T. Chan, J.B. Neaton, and M.L. Cohen Phys. Rev. B 77 2008 235430
31. M. Sargolzaei, and F. Gudarzi J. Appl. Phys. 110 2011 064303
32. C. Cao, M. Wu, J. Jiang, and H.-P. Cheng Phys. Rev. B 81 2010 205424
33. C. Ataca, and S. Ciraci Phys. Rev. B 82 2010 165402
34. D. Ma, Z. Lu, W. Ju, and Y. Tang J. Phys.: Condens. Matter 24 2012 145501
35. J. Li, M.L. Hu, Z. Yu, J.X. Zhong, and L.Z. Sun Chem. Phys. Lett. 532 2012 40
36. A.L. He, X.Q. Wang, R.Q. Wu, Y.H. Lu, and Y.P. Feng J. Phys.: Condens. Matter 22 2010 175501
37. J.X. Zhao, and Y.H. Ding J. Phys. Chem. C 112 2008 2558
38. G.X. Chen, Y. Zhang, D.D. Wang, and J.M. Zhang Physica E 43 2010 22
39. P.E. Blöchl Phys. Rev. B 50 1994 17953
40. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
41. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
42. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
43. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
44. Y.C. Lin, D.O. Dumcenco, H.P. Komsa, Y. Niimi, A.V. Krasheninnikov, Y.S. Huang, K. Suenaga, arXiv:1310.2366.
45. H. Valencia, A. Gil, and G. Frapper J. Phys. Chem. C 114 2010 14141
46. J.M. Zhang, S.F. Wang, L.Y. Chen, K.W. Xu, and V. Ji Eur. Phys. J. B 76 2010 289
47. Q. Pang, Y. Zhang, J.-M. Zhang, and K.-W. Xu Mater. Chem. Phys. 124 2010 1113
48. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput. Mater. Sci. 36 2006 354
49. Y.F. Li, Z. Zhou, S.B. Zhang, and Z.F. Chen J. Am. Chem. Soc. 130 2008 16739