Wadnerkar, Nitin, English, Niall J. (2013) Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals. Computational Materials Science, 74. 33-39 doi:10.1016/j.commatsci.2013.03.015

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Reference Type	Journal (article/letter/editorial)
Title	Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals
Journal	Computational Materials Science
Authors	Wadnerkar, Nitin		Author
Authors	English, Niall J.		Author
Year	2013 (June)	Volume	74
Publisher	Elsevier BV
DOI	doi:10.1016/j.commatsci.2013.03.015Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9507662	Long-form Identifier	mindat:1:5:9507662:3
GUID	0
Full Reference	Wadnerkar, Nitin, English, Niall J. (2013) Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals. Computational Materials Science, 74. 33-39 doi:10.1016/j.commatsci.2013.03.015
Plain Text	Wadnerkar, Nitin, English, Niall J. (2013) Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals. Computational Materials Science, 74. 33-39 doi:10.1016/j.commatsci.2013.03.015
In	(n.d.) Computational Materials Science Vol. 74. Elsevier BV

	McDonnell, Kevin A., Wadnerkar, Nitin, English, Niall J., Rahman, Mahfujur, Dowling, Denis (2013) Photo-active and optical properties of bismuth ferrite (BiFeO3): An experimental and theoretical study. Chemical Physics Letters, 572. 78-84 doi:10.1016/j.cplett.2013.04.024
	Klenk, Matthew J., Lai, Wei (2017) Effect of exchange-correlation functionals on the density functional theory simulation of phase transformation of fast-ion conductors: A case study in the Li garnet oxide Li7La3Zr2O12. Computational Materials Science, 134. 132-136 doi:10.1016/j.commatsci.2017.03.039
	Jiang, Jiali, Zhang, Shengli, Huang, Shiping, Wang, Peng, Tian, Huiping (2013) Density functional theory studies of Yb-, Ca- and Sr-substituted Mg2NiH4 hydrides. Computational Materials Science, 74. 55-64 doi:10.1016/j.commatsci.2013.03.004
	Deng, Zexiang (2025) Effect of alloying on lattice thermal conductivity of GaO monolayer: A density functional theory study. Computational Materials Science, 255. doi:10.1016/j.commatsci.2025.113924
	Long, Run, English, Niall J. (2011) Electronic properties of anatase-TiO2 codoped by cation-pairs from hybrid density functional theory calculations. Chemical Physics Letters, 513. 218-223 doi:10.1016/j.cplett.2011.07.056
	Zhang, P., Zheng, Y., Wu, S.Q., Zhu, Z.Z., Yang, Y. (2014) Hybrid density functional investigations of Li2MSiO4 (M=Mn, Fe and Co) cathode materials. Computational Materials Science, 83. 45-50 doi:10.1016/j.commatsci.2013.10.041
	Li, Haitao, Kang, Tianhe, Zhang, Bin, Zhang, Jianjun, Ren, Jun (2016) Influence of interlayer cations on structural properties of montmorillonites: A dispersion-corrected density functional theory study. Computational Materials Science, 117. 33-39 doi:10.1016/j.commatsci.2016.01.009
	*Majid, Abdul, Fatima, Sabeen, Dar, Amna (2013) A density functional theory study of electronic properties of Ce:GaN. Computational Materials Science, 79. 929-932 doi:10.1016/j.commatsci.2013.08.003*
	Long, Run, English, Niall J. (2011) Tailoring the electronic structure of TiO2by cation codoping from hybrid density functional theory calculations. Physical Review B, 83 (15) doi:10.1103/physrevb.83.155209
	Yasin, Alhassan S., Liu, Botong, Wu, Nianqiang, Musho, Terence (2019) Density functional theory evaluation of cation-doped bismuth molybdenum oxide photocatalysts for nitrogen fixation. Computational Materials Science, 158. 65-75 doi:10.1016/j.commatsci.2018.08.039
	Dabbagh, Hossein A., Zamani, Mehdi (2013) Density functional theory study of structure and bonding of water on alumina nanotube. Computational Materials Science, 79. 781-788 doi:10.1016/j.commatsci.2013.07.028

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Wadnerkar, Nitin, English, Niall J. (2013) Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals. Computational Materials Science, 74. 33-39 doi:10.1016/j.commatsci.2013.03.015

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