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An International Journal at the Interface Between Chemistry and Physics

Volume 120, 2022 - Issue 5

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Adsorption performance of TM doped (TM = Fe, Ni, Cr and Zn) silicon carbide nanotubes towards formaldehyde: a DFT-M06-L study

Hossein RoohiComputational Quantum Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Guilan, Rasht, IranCorrespondence[email protected]

Nastaran Askari ArdehjaniComputational Quantum Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran

Article: e2006351 | Received 11 Jun 2021, Accepted 08 Nov 2021, Published online: 19 Nov 2021

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https://doi.org/10.1080/00268976.2021.2006351
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H.E. Christensen and T.T. Luginbyhl, Registry of Toxic Effects of Chemical Substances (Tracor JITCO, Inc., Rockville, MD, 1975).
Google Scholar
D.W. Cockcroft, V.H. Hoeppner, and J. Dolovtch, Chest. 82, 49–53 (1982). doi:https://doi.org/10.1378/chest.82.1.49.
PubMed Web of Science ®Google Scholar
L.C. Grammer, K.E. Harris, D.W. Cugell, and R. Patterson, J. Allergy Clin. Immunol. 92, 29–33 (1993). doi:https://doi.org/10.1016/0091-6749(93)90033-C.
PubMed Web of Science ®Google Scholar
N. Latorre, J.F. Silvestre, and A.F. Monteagudo, Actas Dermo-Sifiliográficas (English Ed.). 102, 86–97 (2011). doi:https://doi.org/10.1016/S1578-2190(11)70765-X.
PubMedGoogle Scholar
L. Zhang, J. Zhao, H. Lu, L. Gong, L. Li, J. Zheng, H. Li, and Z. Zhu, Sens Actuators B Chem. 160, 364–370 (2011). doi:https://doi.org/10.1016/j.snb.2011.07.062.
Web of Science ®Google Scholar
Y. Zheng, J. Wang, and P. Yao, Sens Actuators B Chem. 156, 723–730 (2011). doi:https://doi.org/10.1016/j.snb.2011.02.026.
Web of Science ®Google Scholar
M. Noei and A.A. Peyghan, J. Mol. Model. 19, 3843–3850 (2013). doi:https://doi.org/10.1007/s00894-013-1922-9.
PubMed Web of Science ®Google Scholar
M.D. Esrafili and L. Dinparast, J. Mol. Graph. Model. 80, 25–31 (2018). doi:https://doi.org/10.1016/j.jmgm.2017.12.025.
PubMed Web of Science ®Google Scholar
X. Deng, X. Liang, S.P. Ng, and C.M.L. Wu, Appl. Surf. Sci. 484, 1244–1252 (2019). doi:https://doi.org/10.1016/j.apsusc.2019.04.175.
Web of Science ®Google Scholar
M. Chi and Y.-P. Zhao, Comput. Mater. Sci. 46, 1085–1090 (2009). doi:https://doi.org/10.1016/j.commatsci.2009.05.017.
Web of Science ®Google Scholar
A. Soltani, A.S. Ghasemi, M.B. Javan, F. Ashrafi, J.C. Ince, and F. Heidari, Adsorption. 25, 235–245 (2019). doi:https://doi.org/10.1007/s10450-019-00029-1.
Web of Science ®Google Scholar
X. Wang and K.M. Liew, J. Phys. Chem. C. 115, 10388–10393 (2011). doi:https://doi.org/10.1021/jp2005937.
Web of Science ®Google Scholar
L. Wang, Appl. Surf. Sci. 258, 6688–6691 (2012). doi:https://doi.org/10.1016/j.apsusc.2012.03.116.
Web of Science ®Google Scholar
T. Ouyang, Z. Qian, R. Ahuja, and X. Liu, Appl. Surf. Sci. 439, 196–201 (2018). doi:https://doi.org/10.1016/j.apsusc.2018.01.040.
Web of Science ®Google Scholar
T. Ouyang, Z. Qian, X. Hao, R. Ahuja, and X. Liu, Appl. Surf. Sci. 462, 615–622 (2018). doi:https://doi.org/10.1016/j.apsusc.2018.08.073.
Web of Science ®Google Scholar
C. Pham-Huu, N. Keller, G. Ehret, and M.J. Ledoux, J. Catal. 200, 400–410 (2001). doi:https://doi.org/10.1006/jcat.2001.3216.
Web of Science ®Google Scholar
R.Q. Wu, M. Yang, Y.H. Lu, Y.P. Feng, Z.G. Huang, and Q.Y. Wu, J. Phys. Chem. C. 112, 15985–15988 (2008). doi:https://doi.org/10.1021/jp804727c.
Web of Science ®Google Scholar
M. Zhao, Y. Xia, F. Li, R.Q. Zhang, and S.-T. Lee, Phys. Rev. B. 71, 85312 (2005). doi:https://doi.org/10.1103/PhysRevB.71.085312.
Web of Science ®Google Scholar
G. Gao and H.S. Kang, J. Chem. Theory Comput. 4, 1690–1697 (2008). doi:https://doi.org/10.1021/ct800273c.
PubMed Web of Science ®Google Scholar
G. Gao, S.H. Park, and H.S. Kang, Chem. Phys. 355, 50–54 (2009). doi:https://doi.org/10.1016/j.chemphys.2008.10.049.
Web of Science ®Google Scholar
J. Zhao and Y. Ding, J. Chem. Theory Comput. 5, 1099–1105 (2009). doi:https://doi.org/10.1021/ct9000069.
PubMed Web of Science ®Google Scholar
F. Cao, X. Xu, W. Ren, and C. Zhao, J. Phys. Chem. C. 114, 970–976 (2009). doi:https://doi.org/10.1021/jp910025y.
Web of Science ®Google Scholar
B. Delley, J. Chem. Phys. 92, 508–517 (1990). doi:https://doi.org/10.1063/1.458452.
Web of Science ®Google Scholar
D.R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979). doi:https://doi.org/10.1103/PhysRevLett.43.1494.
Web of Science ®Google Scholar
J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). doi:https://doi.org/10.1103/PhysRevLett.77.3865.
PubMed Web of Science ®Google Scholar
B. Delley, Phys. Rev. B. 66, 155125 (2002). doi:https://doi.org/10.1103/PhysRevB.66.155125.
Web of Science ®Google Scholar
R. Wang, R. Zhu, and D. Zhang, Chem. Phys. Lett. 467, 131–135 (2008). doi:https://doi.org/10.1016/j.cplett.2008.11.002.
Web of Science ®Google Scholar

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Adsorption performance of TM doped (TM = Fe, Ni, Cr and Zn) silicon carbide nanotubes towards formaldehyde: a DFT-M06-L study

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Adsorption performance of TM doped (TM = Fe, Ni, Cr and Zn) silicon carbide nanotubes towards formaldehyde: a DFT-M06-L study

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