Effect of ZnO nanostructure morphology on the sensing of H2S gas

Journal of Physical Chemistry C

Volumn 117, Issue 49, 2013, Pages 26106-26118

  Iversen, Kalon J ^a   Spencer, Michelle J S ^a,b  

^a LA TROBE UNIVERSITY   (Australia)

^b RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; DETECTION OF POLLUTANT; NANOSTRUCTURE SIZE; NANOTUBE STRUCTURE; OUTER SURFACE; REACTION TEMPERATURE; SENSING MECHANISM; ZNO NANOSTRUCTURES;

ADSORPTION; CALCULATIONS; ENERGY GAP; MOLECULAR DYNAMICS; MORPHOLOGY; NANOWIRES; POLLUTION DETECTION; SURFACE REACTIONS; ZINC OXIDE;

NANOTUBES;

EID: 84890523370     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408916b     Document Type: Article

References (33)

1. Reiffenstein, R. J.; Hulbert, W. C.; Roth, S. H. Toxicology of Hydrogen-Sulfide Annu. Rev. Pharmacol. Toxicol. 1992, 32, 109-134
2. Hendrickson, R. G.; Chang, A.; Hamilton, R. J. Co-worker Fatalities from Hydrogen Sulfide Am. J. Ind. Med. 2004, 45, 346-350
3. 2S) in urban ambient air Atmos. Environ. 2008, 42, 7476-7482
4. Klingshirn, C. ZnO: From Basics Towards Applications Phys. Status Solidi B 2007, 244, 3027-3073
5. 2S-Sensing Materials Solid-State Electron. 2013, 82, 67-71
6. 2S Down to ppb Levels at Room Temperature Using Sensors Based on ZnO Nanorods Sens. Actuators, B 2006, 113, 320-323
7. 2S Gas Sensing J. Phys. Chem. C 2011, 115, 7218-7224
8. 2S on ZnO(0001) and ZnO(101Ì...0) Surf. Sci. 1997, 377, 587-591
9. 2S on the ZnO Desulfurizer Fuel Process. Technol. 2013, 106, 222-230
10. 2S with the ZnO(1010) Surface Phys. Chem. Chem. Phys. 2013, 15, 8373-8382
11. Kresse, G.; Furthmuller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
12. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
13. Kresse, G.; Hafner, J. Ab-Initio Molecular-Dynamics for Open-Shell Transition-Metals Phys. Rev. B 1993, 48, 13115-13118
14. Perdew, J. P.; Wang, Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation-Energy Phys. Rev. B 1992, 45, 13244-13249
15. Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
16. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
17. 2O Mater. Chem. Phys. 2010, 119, 505-514
18. Lide, D. R., CRC Handbook of Chemistry and Physics, 94 th ed.; Taylor and Francis: Boca Raton, FL, 2013-2014; http://www.hbcpnetbase.com, accessed online July 2013.
19. Henkelman, G.; Arnaldsson, A.; Jonsson, H. A Fast and Robust Algorithm for Bader Decomposition of Charge Density Comput. Mater. Sci. 2006, 36, 354-360
20. Blochl, P. E. Projector augmented-wave method Phys. Rev. B 1994, 50, 17953-17979
21. Nose, S. A Unified Formulation of the Constant Temperature Molecular-Dynamics Methods J. Chem. Phys. 1984, 81, 511-519
22. Lin, J.; May, J. A.; Didziulis, S. V.; Solomon, E. I. Variable-Energy Photoelectron Spectroscopic Studies of Hydrogen Sulfide Chemisorption on Cuprous Oxide and Zinc Oxide Single-Crystal Surfaces: HS- Bonding to Copper(I) and Zinc(II) Sites Related to Catalytic Poisoning J. Am. Chem. Soc. 1992, 114, 4718-4727
23. 2 Sensing; Proceedings of Transducers and Eurosensors '07, Lyon, France, June 10-14; IEEE: Lyon, France, 2007; pp 987-990.
24. 2, NO, O, and N with the ZnO(1010) Surface J. Phys. Chem. C 2010, 114, 10881-10893
25. Spencer, M. J. S., Density Functional Theory Modeling of ZnO for Gas Sensor Applications. In Chemical Sensors, Vol. 1, Series II; Korotcenkov, G., Ed. Momentum Press: New York, 2012; Vol. I.
26. 2 on Oxygen Deficient ZnO(21Ì...1Ì...0) for Gas Sensing Applications: A DFT Study J. Phys. Chem. C 2010, 114, 16603-16610
27. 2 on the ZnO(2110) Surface: a DFT Study Surf. Sci. 2009, 603, 3389-3399
28. Spencer, M. J. S. Gas sensing Applications of 1D-nanostructured Zinc Oxide: Insights from Density Functional Theory Calculations Prog. Mater. Sci. 2012, 57, 437-486
29. Pan, H.; Feng, Y. P. Semiconductor Nanowires and Nanotubes: Effects of Size and Surface-to-Volume Ratio ACS Nano 2008, 2, 2410-2414
30. Liao, L.; Lu, H. B.; Li, J. C.; He, H.; Wang, D. F.; Fu, D. J.; Liu, C.; Zhang, W. F. Size Dependence of Gas Sensitivity of ZnO Nanorods J. Phys. Chem. C 2007, 111, 1900-1903
31. 2S Gas Sensor J. Alloys Compd. 2012, 528, 109-114
32. 2S Gas Sensor Based on Dendritic ZnO Nanostructures with Macroscale in Appearance J. Appl. Phys. 2008, 103, 104305-104306
33. Dloczik, L.; Engelhardt, R.; Ernst, K.; Fiechter, S.; Sieber, I.; Konenkamp, R. Hexagonal nanotubes of ZnS by Chemical Conversion of Monocrystalline ZnO Columns Appl. Phys. Lett. 2001, 78, 3687-3689