Realization of controlling the band alignment via atomic substitution

Carbon

Volumn 69, Issue , 2014, Pages 495-501

  Ma, Yandong ^a   Dai, Ying ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SUBSTITUTIONS; BAND ALIGNMENTS; BAND EDGE POSITION; DIFFERENT EFFECTS; GENERAL MODEL; GRAPHENE NANO-RIBBON; IMPURITY ATOMS; IN-BAND;

ENERGY GAP;

ALIGNMENT;

EID: 84892814279     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2013.12.057     Document Type: Article

References (38)

1. A.C. Morteani, P. Sreearunothai, L.M. Herz, R.H. Friend, and C. Silva Exciton regeneration at polymeric semiconductor heterojunctions Phys Rev Lett 92 2004 247402 247405
2. 2 Nat Mater 2013 10.1038/NMAT3697
3. 2/Si(001) interfaces Phys Rev B 63 2001 115314 115319
4. Y. Xu, and M.A.A. Schoonen The absolute energy positions of conduction and valence bands of selected semiconducting minerals Am Mineral 85 2000 543 556 (Pubitemid 30236918)
5. L. Kavan, M. Gratzel, S.E. Gilbert, C. Klemenz, and H.J. Scheel Electrochemical and photoelectrochemical investigation of single-crystal anatase J Am Chem Soc 118 1996 6716 6723 (Pubitemid 26248168)
6. Y. Li, L.E. O'Leary, N.S. Lewis, and G. Galli Combined theoretical and experimental study of band-edge control of Si through surface functionalization J Phys Chem C 117 2013 5188 5194
7. Y.D. Ma, Y. Dai, W. Wei, X.H. Liu, and B.B. Huang Ag adsorption on Cd-terminated CdS (0001) and S-terminated CdS (0001)surfaces: first-principles investigations J Solid State Chem 184 2011 747 752
8. H.F. Cheng, B. Huang, P. Wang, Z.Y. Wang, Z.Z. Lou, and J.P. Wang et al. In situ ion exchange synthesis of the novel Ag/AgBr/BiOBr hybrid with highly efficient decontamination of pollutants Chem Comm 47 2011 7054 7056
9. J. Hader, S.W. Koch, J.V. Moloney, and E.P. O'Reilly Influence of the valence-band offset on gain and absorption in GaNAs/GaAs quantum well lasers Appl Phys Lett 76 2000 3685 3687
10. X.Q. Meng, H. Peng, Y.Q. Gai, and J. Li Influence of ZnS and MgO shell on the photoluminescence properties of ZnO core/shell nanowires J Phys Chem C 114 2010 1467 1471
11. J. Li, and L.-W. Wang First principle study of core/shell structure quantum dots Appl Phys Lett 84 2004 3648 3650
12. S.B. Zhang, S.-H. Wei, and A. Zunger Microscopic origin of the phenomenological equilibrium "doping limit rule" in n-type III-V semiconductors Phys Rev Lett 84 2000 1232 1235
13. 2 interface from many-body perturbation theory Phys Rev Lett 100 2008 186401 186404
14. P.G. Moses, M.S. Miao, Q.M. Yan, and C.G. Van de Walle Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN J Chem Phys 134 2011 084703 084713
15. P.D.C. King, T.D. Veal, C.E. Kendrick, L.R. Bailey, S.M. Durbin, and C.F.M. Conville InN/GaN valence band offset: high-resolution X-ray photoemission spectroscopy measurements Phys Rev B 78 2008 033308 033311
16. J.C. Conesa Modeling with hybrid density functional theory the electronic band alignment at the zinc oxide-anatase interface J Phys Chem C 116 2012 18884 18890
17. 2/Si transistor stack Appl Phys Lett 99 2011 022101 022103
18. Y.D. Ma, Y. Dai, and B.B. Huang Magnetism in non-transition-metal doped CdS studied by density functional theory Comput Mater Sci 50 2011 1661 1666
19. R. Asahi, T. Morikawa, T. Ohwaki, K. Aoki, and Y. Taga Visible-light photocatalysis in nitrogen-doped titanium oxides Science 293 2001 269 271 (Pubitemid 32694736)
20. 2 monolayers Phys Chem Chem Phys 13 2011 15546 15553
21. 2: a passivated codoping approach for enhanced photoelectrochemical activity Phys Rev Lett 102 2009 036402 036405
22. J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, and S. Blankenburg et al. Atomically precise bottom-up fabrication of graphene nanoribbons Nature 466 2010 470 473
23. S. Linden, D. Zhong, A. Timmer, N. Aghdassi, J.H. Franke, and H. Zhang et al. Electronic structure of spatially aligned graphene nanoribbons on Au(788) Phys Rev Lett 108 2012 216801 216805
24. Z.F. Wang, Q.W. Shi, Q.X. Li, X.P. Wang, J.G. Hou, and H.X. Zheng et al. Z-shaped graphene nanoribbon quantum dot device Appl Phys Lett 91 2007 053109 053111
25. A. Saffarzadeh, and R. Farghadan A spin-filter device based on armchair graphene nanoribbons Appl Phys Lett 98 2011 023106 023108
26. H. Sevincli, M. Topsakal, and S. Ciraci Superlattice structures of graphene-based armchair nanoribbons Phys Rev B 78 2008 245402 245409
27. E.C. Girao, L.B. Liang, E. Cruz-Silva, A.G.S. Filho, and V. Meunier Emergence of atypical properties in assembled graphene nanoribbons Phys Rev Lett 107 2011 135501 135505
28. S.D. Wang, and J.L. Wang Quasiparticle energies and optical excitations in chevron-type graphene nanoribbon J Phys Chem C 116 2012 10193 10197
29. C. Bronner, S. Stremlau, M. Gille, F. Brauße, A. Haase, and S. Hecht et al. Aligning the band gap of graphene nanoribbons by monomer doping Angew Chem Int Ed 52 2013 4422 4425
30. G. Kresse, and J. Furthmuller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys Rev B 54 1996 11169 11186
31. G. Kresse, and J. Furthmuller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput Mater Sci 6 1996 15 50 (Pubitemid 126412269)
32. J.P. Perdew, and Y. Wang Accurate and simple analytic representation of the electron-gas correlation energy Phys Rev B 45 1992 13244 13249
33. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys Rev Lett 77 1996 3865 3868 (Pubitemid 126631804)
34. H.J. Monkhorst, and J.D. Pack Special points for brillouin-zone integrations Phys Rev B 13 1976 5188 5192
35. H.J. Xiang, B. Huang, Z.Y. Li, S.-H. Wei, J.L. Yang, and X.G. Gong Ordered semiconducting nitrogen-graphene alloys Phys Rev X 2 2012 011003 011009
36. M.A. Butler, and D.S. Ginley Prediction of flatband potentials at semiconductor-electrolyte interfaces from atomic electronegativities J Electrochem Soc 125 1978 228 232 (Pubitemid 8579131)
37. Sanderson RT. Chemical periodicity. New York: Reinhold; 1960 [p. 37-38].
38. A.H. Nethercot Prediction of fermi energies and photoelectric thresholds based on electronegativity concepts Phys Rev Lett 33 1974 1088 1091