A DFT investigation on transition metal (Co, Cr, Cu, Mn, Mo and Nb)-doped bismuth ferrite oxide (BiFeO3) for CO gas adsorption
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-023-03000-0.pdf
Reference30 articles.
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3. Gao H, Xu W, He H, Shi X, Zhang X, Ichi Tanaka K (2008) DRIFTS investigation and DFT calculation of the adsorption of CO on Pt/TiO2, Pt/CeO2 and FeOx/Pt/CeO2. Spectrochim Acta - Part A Mol Biomol Spectrosc. 71(4):1193–1198. https://doi.org/10.1016/j.saa.2008.03.036
4. Bludský O, Silhan M, Nachtigall P, Bucko T, Benco L, Hafner J (2005) Theoretical investigation of CO interaction with copper sites in zeolites: Periodic DFT and hybrid quantum mechanical/interatomic potential function study. J Phys Chem B 109(19):9631–9638. https://doi.org/10.1021/jp0506538
5. Zhang D, Pang M, Wu J, Cao Y (2019) Experimental and density functional theory investigation of Pt-loaded titanium dioxide/molybdenum disulfide nanohybrid for SO2 gas sensing. New J Chem 43(12):4900–4907. https://doi.org/10.1039/c9nj00399a
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