Search Results - "Badrudin, F W"

First-principles approach to the structural, electronic and intercalation voltage of Prussian blue (KxFe[Fe(CN)6]) (x = 1, 2) as potential cathode material for potassium ion batteries by Sazman, F. N., Zaki, N. H. M., Badrudin, F. W., Samat, M. H., Malik, N. A., Nor, N. A. N. M., Hassan, O. H., Yahya, M. Z. A., Taib, M. F. M.

“…Prussian blue (PB) is a good candidate as cathode material in potassium ion batteries (KIB) due to its high electrochemical performance. Thus, to verify the…”
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Effect of lithium intercalation on the structural and electronic properties of layered LiFeSO4OH and layered FeSO4OH using first-principle calculations by Badrudin, F.W., Taib, M.F.M., Hassan, O.H., Yahya, M.Z.A.

“…[Display omitted] •First-principle method (using DFT) was carried out on the L-LiFeSO4OH and L-FeSO4OH.•SO42− polyanion has a strong S–O bond co-joined with…”
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The influence of Cl doping on the structural, electronic properties and Li-ion migration of LiFePO4: A DFT study by Zaki, N.H.M., Ahmad, S.I., Sazman, F.N., Badrudin, F.W., Abdullah, A.L.A., Taib, M.F.M., Hassan, O.H., Yahya, M.Z.A.

“…[Display omitted] •The structural properties, electronic properties, and Li-ion migration of Cl-doped LiFePO4 is calculated via DFT + U method.•Cl doping…”
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First-principles study on structural and electronic properties of Prussian blue cathode material for sodium-ion battery by Nasir, N A M, Badrudin, F W, Idrus, A, Sazman, F N, Taib, M F M, Yahya, M Z A

“…Prussian blue, Fe[Fe(CN)6] currently attracts a huge attention as a promising material in the application of large-scale energy storage because of its…”
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First-principles study on structural and electronic properties of Prussian blue cathode material for sodium-ion battery by Nasir, N. A. M., Badrudin, F. W., Idrus, A., Sazman, F. N., Taib, M. F. M., Yahya, M. Z. A.

“…Prussian blue, Fe[Fe(CN) 6 ] currently attracts a huge attention as a promising material in the application of large-scale energy storage because of its…”
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Electronic and optical properties of Au and Ag doped LiNbO3 from first principles study by Zainuddin, L.W., Samat, M.H., Zaki, N.H.M., Badrudin, F.W., Osman, N., Jani, A.M.M, Hassan, O.H., Taib, M.F.M.

“…Using the first-principles calculation, the electronic and optical properties of Ag and Au doped LiNbO3 are investigated. The first-principles calculation in…”
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO3 by Taib, M. F. M., Yaakob, M. K., Badrudin, F. W., Kudin, T. I. T., Hassan, O. H., Yahya, M. Z. A.

“…The properties of tetragonal (P4 mm, 99 space group) SnTiO 3 were investigated via first-principles implemented in CASTEP computer code. The calculation of…”
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO sub(3) by Taib, MFM, Yaakob, M K, Badrudin, F W, Kudin, TIT, Hassan, OH, Yahya, MZA

“…The properties of tetragonal (P4 mm, 99 space group) SnTiO sub(3) were investigated via first-principles implemented in CASTEP computer code. The calculation…”
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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO sub(3) by Taib, MFM, Yaakob, M K, Badrudin, F W, Kudin, TIT, Hassan, OH, Yahya, MZA

“…The properties of cubic (Pm3m, 221 space group) GeTiO sub(3)were investigated via the first principles method implemented in CASTEP computer code. The elastic…”
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Determination of Electronic Structure and Band Gap of Li2MnP2O7 via First-Principle Study by Rasiman, M. S. A., Badrudin, F. W., Kudin, T. I. T., Yaakob, M. K., Taib, M. F. M., Yahya, M. Z. A., Hassan, O. H.

“…The pyrochlore Li 2 MnP 2 O 7 structure is an important new class of cathode for lithium ion batteries. First-principle calculations of ferromagnetic and…”
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Determination of Electronic Structure and Band Gap of Li sub(2)MnP sub(2)O sub(7) via First-Principle Study by Rasiman, MSA, Badrudin, F W, Kudin, TIT, Yaakob, M K, Taib, MFM, Yahya, MZA, Hassan, OH

“…The pyrochlore Li sub(2)MnP sub(2)O sub(7) structure is an important new class of cathode for lithium ion batteries. First-principle calculations of…”
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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO sub(3) (A = Pb,Sn,Ge) by Taib, MFM, Yaakob, M K, Badrudin, F W, Rasiman, MSA, Kudin, TIT, Hassan, OH, Yahya, MZA

“…The structural, electronic, and optical properties of the special lone pair ferroelectric materials with tetragonal structures, namely, PbTiO sub(3), SnTiO…”
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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO3 (A = Pb,Sn,Ge) by Taib, M. F. M., Yaakob, M. K., Badrudin, F. W., Rasiman, M. S. A., Kudin, T. I. T, Hassan, O. H., Yahya, M. Z. A.

“…The structural, electronic, and optical properties of the special lone pair ferroelectric materials with tetragonal structures, namely, PbTiO 3 , SnTiO 3 , and…”
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Effects of Vanadium Substitution in the Layered LiFeSO4OH: A First Principles Investigation by Badrudin, F.W., Taib, M.F.M., Mustapha, R.I.P.R., Hassan, O.H., Yahya, M.Z.A.

“…This work aims to investigate effects of vanadium substitution on structural and electronic properties of the pristine LiFeSO4OH compound using GGA, GGA+U and…”
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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO 3 by Taib, M. F. M., Yaakob, M. K., Badrudin, F. W., Kudin, T. I. T., Hassan, O. H., Yahya, M. Z. A.

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First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO^sub 3 by Taib, M F M, Yaakob, M K, Badrudin, F W, Kudin, T I T, Hassan, O H, Yahya, M Z A

“…The properties of tetragonal (P4 mm, 99 space group) SnTiO... were investigated via first-principles implemented in CASTEP computer code. The calculation of…”
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Determination of Electronic Structure and Band Gap of Li 2 MnP 2 O 7 via First-Principle Study by Rasiman, M. S. A., Badrudin, F. W., Kudin, T. I. T., Yaakob, M. K., Taib, M. F. M., Yahya, M. Z. A., Hassan, O. H.

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First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO 3 (A = Pb,Sn,Ge) by Taib, M. F. M., Yaakob, M. K., Badrudin, F. W., Rasiman, M. S. A., Kudin, T. I. T, Hassan, O. H., Yahya, M. Z. A.

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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO 3 by Taib, M. F. M., Yaakob, M. K., Badrudin, F. W., Kudin, T. I. T., Hassan, O. H., Yahya, M. Z. A.

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First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO^sub 3 by Taib, M FM, Yaakob, M K, Badrudin, F W, Kudin, T IT, Hassan, O H, Yahya, M ZA

“…The properties of cubic (Pm3m, 221 space group) GeTiO... were investigated via the first principles method implemented in CASTEP computer code. T he elastic…”
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