Response of Si- and Al-doped graphenes toward HCN: A computational study

Applied Surface Science

Volumn 265, Issue , 2013, Pages 412-417

  Rastegar, Somayeh F ^a   Peyghan, Ali Ahmadi ^a   Hadipour, Nasser L ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GRAPHENE; SILICON COMPOUNDS;

ADSORPTION ENERGIES; AL DOPED; COMPUTATIONAL STUDIES; GRAPHENES; IMPURITY ATOMS; OPTIMIZED CONFIGURATION;

ALUMINUM COMPOUNDS;

EID: 84871936996     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.11.021     Document Type: Article

References (29)

1. T.L. Blank, M.V. Roloff, R.D. Short, S.M. Schuengel, and W.E. Ribelin Inhalation toxicity studies of hydrogen cyanide (HCN) in Sprague-Dawley rats Toxicology Letters 18 Suppl. 1 2002 136
2. B. Akyildiz, S. Kurtoǧlu, M. Kondolot, and A. Tunç Cyanide poisoning caused by ingestion of apricot seeds Annals of Tropical Paediatrics 30 2010 39 43
3. K.S. Brown, and R.R. Robinette No simple pattern of inheritance in ability to smell solutions of cyanide Nature 215 1967 406 408
4. A. Allison 268. Cyanide-smelling deficiency among Africans Man 53 1953 176 177
5. P. Parthangal, R.E. Cavicchi, D.C. Meier, A. Herzing, and M.R. Zachariah Direct synthesis of tin oxide nanotubes on microhotplates using carbon nanotubes as templates Journal of Materials Research 26 2011 430 436
6. 2 -sensing properties of Ti-added nonstoichiometric tungsten oxide nanowires Sensors and Actuators B: Chemical 162 2012 244 250
7. X.L. Wei, Y.P. Chen, W.L. Liu, and J.X. Zhong Enhanced gas sensor based on nitrogen-vacancy graphene nanoribbons Physics Letters A 376 2012 559 562
8. F. Hossein-Babaei, and A. Amini A breakthrough in gas diagnosis with a temperature-modulated generic metal oxide gas sensor Sensors and Actuators B: Chemical 166-167 2012 419 425
9. 3 sensing properties enhanced by UV illumination: an evidence of surface effect Sensors and Actuators B: Chemistry 165 2012 59 61
10. S. Hwang, J. Lim, H.G. Park, W.K. Kim, D.-H. Kim, I.S. Song, J.H. Kim, S. Lee, D.H. Woo, and S. Chan Jun Chemical vapor sensing properties of graphene based on geometrical evaluation Current Applied Physics 12 2012 1017 1022
11. G. Jasinski, and P. Jasinski Solid electrolyte gas sensors based on cyclic voltammetry with one active electrode IOP Conference Series: Materials Science and Engineering 18 2011 212007
12. R. Wu, M. Yang, Y. Lu, Y. Feng, Z. Huang, and Q. Wu Silicon carbide nanotubes as potential gas sensors for CO and HCN detection Journal of Physical Chemistry C 112 2008 15985 15988
13. P. Qi, O. Vermesh, M. Grecu, A. Javey, Q. Wang, H. Dai, S. Peng, and K.J. Cho Toward large arrays of multiplex functionalized carbon nanotube sensors for highly sensitive and selective molecular detection Nano Letters 3 2003 347 351
14. C. Hu, and S. Hu Carbon nanotube-based electrochemical sensors: principles and applications in biomedical systems Journal of Sensors 2009 2009
15. F. Schedin, A. Geim, S. Morozov, E. Hill, P. Blake, M. Katsnelson, and K. Novoselov Detection of individual gas molecules adsorbed on graphene Nature Materials 6 2007 652 655
16. B. Huang, Z. Li, Z. Liu, G. Zhou, S. Hao, J. Wu, B.L. Gu, and W. Duan Adsorption of gas molecules on graphene nanoribbons and its implication for nanoscale molecule sensor Journal of Physical Chemistry C 112 2008 13442 13446
17. 2 , and NO on graphene: a first-principles study Physical Review B 77 2008 125416
18. J.D. Fowler, M.J. Allen, V.C. Tung, Y. Yang, R.B. Kaner, and B.H. Weiller Practical chemical sensors from chemically derived graphene ACS Nano 3 2009 301 306
19. H.E. Romero, P. Joshi, A.K. Gupta, H.R. Gutierrez, M.W. Cole, S.A. Tadigadapa, and P.C. Eklund Adsorption of ammonia on graphene Nanotechnology 20 2009 245501
20. Y. Zou, F. Li, Z. Zhu, M. Zhao, X. Xu, and X. Su An ab initio study on gas sensing properties of graphene and Si-doped graphene European Physical Journal B: Condensed Matter 81 2011 475
21. Z. Ao, S. Li, and Q. Jiang Correlation of the applied electrical field and CO adsorption/desorption behavior on Al-doped graphene Solid State Communications 150 2010 680 683
22. Z. Ao, J. Yang, S. Li, and Q. Jiang Enhancement of CO detection in Al doped graphene Chemical Physics Letters 461 2008 276 279
23. Y. Zhang, D. Zhang, and C. Liu Novel chemical sensor for cyanides: boron-doped carbon nanotubes Journal of Physical Chemistry B 110 2006 4671 4674
24. R. Wang, and D. Zhang Theoretical study of the adsorption of carbon monoxide on pristine and silicon-doped boron nitride nanotubes Australian Journal of Chemistry 61 2009 941 945
25. J.T. Robinson, F.K. Perkins, E.S. Snow, Z. Wei, and P.E. Sheehan Reduced graphene oxide molecular sensors Nano Letters 8 2008 3137 3140
26. 3 to graphite and to a (9, 0) carbon nanotube Physical Review B 70 2004 115409
27. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, and S. Su General atomic and molecular electronic structure system Journal of Computational Chemistry 14 1993 1347 1363
28. Y. Sun, L. Chen, F. Zhang, D. Li, H. Pan, and J. Ye First-principles studies of HF molecule adsorption on intrinsic graphene and Al-doped graphene Solid State Communications 150 2010 1906 1910
29. S.S. Li Semiconductor physical electronics 2nd ed. 2006 Springer + Business Media New York