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Interactions Between Zinc Oxide and Alkali Metals, Alkaline Earth Metals and Halogens: A Theoretical Study
Corresponding Author(s) : Aned de Leon
Asian Journal of Chemistry,
Vol. 29 No. 3 (2017): Vol 29 Issue 3
Abstract
Zinc oxide is a multifunctional material due to its incredible physical and chemical properties. The aim of this work is to analyze the interactions between zinc oxide and different elements and depict how the structure and energy are modified by their presence. We focused on elements of groups IA, IIA and VIIA of the periodic table and for simplicity, only atoms from periods 1-4.
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- C. Cruz-Vázquez, R. Bernal, S.E. Burruel-Ibarra, H. Grijalva-Monteverde and M. Barboza-Flores, Opt. Mater., 27, 1235 (2005).
- C. Klingshirn, ChemPhysChem, 8, 782 (2007).
- Ü. Özgür, Y.I. Alivov, C. Liu, A. Teke, M.A. Reshchikov, S. Dogan, V. Avrutin, S.-J. Cho and H. Morkoc, J. Appl. Phys., 98, 041301 (2005).
- D.P. Norton, Y.W. Heo, M.P. Ivill, K. Ip, S.J. Pearton, M.F. Chisholm and T. Steiner, Mater. Today, 7, 34 (2004).
- C. Coskun, D.C. Look, G.C. Farlow and J.R. Sizelove, Semicond. Sci. Technol., 19, 752 (2004).
- V. Kortov, Radiat. Meas., 42, 576 (2007).
- K. Sato and H. Katayama-Yoshida, Physica E: Low-Dimen. Syst. Nanostruct., 10, 251 (2001).
- D. Iusan, B. Sanyal and O. Eriksson, Phys. Rev. B, 74, 235208 (2006).
- M.J. Frisch, et al., GAUSSIAN 09, Gaussian, Inc., Wallingford, CT (2009).
- J.A. Pople, R. Krishnan, H.B. Schlegel and J.S. Binkley, Int. J. Quantum Chem., 14, 545 (1978).
- F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys., 7, 3297 (2005).
- P.J. Linstrom and W.G. Mallard, eds., NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg MD, pp. 20899 (July 2001).
- A.F. Jalbout, M. Solimannaejad and J.K. Labanowski, Chem. Phys. Lett., 379, 503 (2003).
- A.F. Jalbout, Z.-Y. Jiang, A. Ouasri, H. Jeghnou, A. Rhandour, M.C. Dhamelincourt, P. Dhamelincourt and A. Mazzah, Vib. Spect., 33, 21 (2003).
- A.F. Jalbout, F. Nazari and L. Turker, J. Mol. Struct., (THEOCHEM.) 671, 1 (2004).
References
C. Cruz-Vázquez, R. Bernal, S.E. Burruel-Ibarra, H. Grijalva-Monteverde and M. Barboza-Flores, Opt. Mater., 27, 1235 (2005).
C. Klingshirn, ChemPhysChem, 8, 782 (2007).
Ü. Özgür, Y.I. Alivov, C. Liu, A. Teke, M.A. Reshchikov, S. Dogan, V. Avrutin, S.-J. Cho and H. Morkoc, J. Appl. Phys., 98, 041301 (2005).
D.P. Norton, Y.W. Heo, M.P. Ivill, K. Ip, S.J. Pearton, M.F. Chisholm and T. Steiner, Mater. Today, 7, 34 (2004).
C. Coskun, D.C. Look, G.C. Farlow and J.R. Sizelove, Semicond. Sci. Technol., 19, 752 (2004).
V. Kortov, Radiat. Meas., 42, 576 (2007).
K. Sato and H. Katayama-Yoshida, Physica E: Low-Dimen. Syst. Nanostruct., 10, 251 (2001).
D. Iusan, B. Sanyal and O. Eriksson, Phys. Rev. B, 74, 235208 (2006).
M.J. Frisch, et al., GAUSSIAN 09, Gaussian, Inc., Wallingford, CT (2009).
J.A. Pople, R. Krishnan, H.B. Schlegel and J.S. Binkley, Int. J. Quantum Chem., 14, 545 (1978).
F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys., 7, 3297 (2005).
P.J. Linstrom and W.G. Mallard, eds., NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg MD, pp. 20899 (July 2001).
A.F. Jalbout, M. Solimannaejad and J.K. Labanowski, Chem. Phys. Lett., 379, 503 (2003).
A.F. Jalbout, Z.-Y. Jiang, A. Ouasri, H. Jeghnou, A. Rhandour, M.C. Dhamelincourt, P. Dhamelincourt and A. Mazzah, Vib. Spect., 33, 21 (2003).
A.F. Jalbout, F. Nazari and L. Turker, J. Mol. Struct., (THEOCHEM.) 671, 1 (2004).