Search Results - "Batalović, K."

DFT study of crystal structure and electronic properties of metal-doped AlH3 polymorphs by Dragojlović, M., Radaković, J., Batalović, K.

“…AlH3 has been considered for a long time as a hydrogen storage material with suitable gravimetric and volumetric density for practical applications. Among…”
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Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study by Sünbül, S.E., Akyol, S., İçin, K., Umićević, A., Ivanovski, V., Batalović, K.

“…•Amorphous Fe38Co38Mo8B15Cu1 alloy was obtained by planar flow casting.•Oxidation behavior of amorphous ribbons was investigated in 30 min and 480 min at…”
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Bio-electrochemical potential and mineralogy of metal rich acid mining lake sediment: the “Robule” lake case study by Atanacković, N., Zdravković, A., Štrbački, J., Kovač, S., Živanović, V., Batalović, K., Stanković, S.

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Mechanochemical modification of LiAlH4 with Fe2O3 - A combined DFT and experimental study by Dragojlović, M., Milanović, I., Gradišek, A., Kurko, S., Mitrić, M., Umićević, A., Radaković, J., Batalović, K.

“…LiAlH4 is a promising material for hydrogen storage, having the theoretical gravimetric density of 10.6 wt% H2. In order to decrease the temperature where…”
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Study on electronic properties of α-, β- and γ-AlH3 – The theoretical approach by Savić, M., Radaković, J., Batalović, K.

“…[Display omitted] •Extensive investigation of electronic structure of α-, β- and γ-AlH3 is presented.•β-alane shows lowest enthalpy of formation…”
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Influence of Ta and Nb on the hydrogen absorption kinetics in Zr-based alloys by Conić, D., Gradišek, A., Radaković, J., Iordoc, M., Mirković, M., Čebela, M., Batalović, K.

“…The kinetics of hydrogen absorption in Zr alloys containing Nb and Ta admixtures (10 wt%Nb, 12 wt%Ta and 10 wt%Nb&12 wt%Ta) is addressed. Hydrogen absorption…”
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Density functional theory guide to structure and thermodynamics of metal hydrides – Case study of (Ti, Zr, Hf)Ni intermetallic compounds by Batalović, K., Radaković, J., Koteski, V., Savić, M.

“…Thermodynamics of hydride formation is one of the key properties of metal-hydrogen system and determines its applicability. Therefore, numerous researches are…”
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Theoretical investigation of interaction of hydrogen and intermetallic compound YCo5 by Radaković, J., Batalović, K., Umićević, A., Miletić, G.I.

“…Stability, magnetic properties, electric field gradients and hyperfine fields of YCo5Hx compounds were investigated by using DFT based calculations. Two…”
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Enhancing photocatalytic properties of rutile TiO2 by codoping with N and metals – Ab initio study by Belošević-Čavor, J., Batalović, K., Koteski, V., Radaković, J., Rangel, C.M.

“…Substitutional N to O and M to Ti (M = Pt, V, Sb) codoped rutile TiO2 was investigated using density functional theory (DFT) based calculations with both…”
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Study on electronic properties of α-, β- and γ-AlH 3 – The theoretical approach by Savić, M., Radaković, J., Batalović, K.

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Theoretical investigation of interaction of hydrogen and intermetallic compound YCo^sub 5 by Radakovic, J, Batalovic, K, Umicevic, A, Miletic, GI

“…Stability, magnetic properties, electric field gradients and hyperfine fields of YCo5Hx compounds were investigated by using DFT based calculations. Two…”
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