Personal information
Katarina Batalović
Institute of Nuclear Sciences VINČA
Laboratory for nuclear and plasma physics
Birt Name: Ćirić
Nationality: Serbian

tel: + (381 11) 3408 601; e-mail:


2009-2013 PhD studies at Faculty of physical chemistry, University of Belgrade
Doctoral dissertation: “Hydrides of transition metal alloys (4th group metals with Ni and Fe) – from the electronic structure to hydrogen storage applications”
Advisor: Prof. dr Miljenko Perić, full SASA member, Faculty of physical chemistry
Dr Dragica Stojić, Research Rrofessor, Vinča Institute of Nuclear Sciences

2003-2008 Msc/Diploma degree at Faculty of physical chemistry, University of Belgrade
Thesis: ”Theoretical investigation of vibronic structure (Renner-Teller’s effect) of 12Δ state of C2P free radical”
Advisor: Prof. dr Miljenko Perić, full SASA member, Faculty of physical chemistry

Awards and scholarships

University of Belgrade award “Student of the generation 2007/2008” at Faculty of physical chemistry
2009 “Pavle Savić” diploma by Serbian Physicochemical Society
2009 Serbian Chemical Society award
2008 Eurobank EFG scholarship
2000-2009 Republic Foundation for the Development of Scientific and Artistic Youth Fellowship


IAESTE Trainee 2006, two months
Place: Oldenburg, Germany
Institution: Institute for physical chemistry, Carl von Ossietzky, University Oldenburg
Subject and skills covered: basics of atomic force microscopy, preparation of organic thin films on inorganic support, cyclic voltammetry

Research visit 2011.
Place: Lisboa, Portugal
Institution: National Laboratory of Energy and Geology
Supervisor: Prof. dr Carmen M. Rangel
Subject and skills covered: characterization of hydrogen storage materials, PCT

Summer school grants
– European school on magnetism: Models in magnetism: from basic aspects to practical uses, 2009
Subject and skills covered: exchange interactions and magnetic ordering, coupling with the lattice, temperature effects, strongly correlated systems; theoretical approach using molecular dynamics and DFT
– MH summer school: Materials for the Hydrogen Society, 2010
Subject and skills covered: trends in synthesis, characterization and application of metal hydrides, influence of hydrogen on the metal properties
– French–German Summer School Science and Technology in Cultural Heritage,2011
Subject and skills covered: fundamental problems and questions around cultural heritage, x-ray fluorescence and THz spectroscopy

Research interest
– Computational solid state – calculations of electronic structure; LAPW+lo and pseudopotential methods
– Metal-hydrogen systems, application for hydrogen storage, hydrogen absorption kinetics
– Photocatalysis – surface and bulk calculations, photocatalytic water splitting

2009-2010 “Structural, dynamic and spectroscopic characteristics of intermetallics
and semiconductors” Serbian Ministry of Science 141022 project
2010-2014 “Investigation of intermetallics and semiconductors for renewable energy
applications” Serbian Ministry of Science 171001 project
2010-2014 “Nanostructural multifunctional materials and nanocomposites” Serbian
Ministry of Science 45018 integral project
2012-2013 “Experimental and theoretical investigation of hydrogen sorption in Mg-Zr-
Fe-Ni and Ti-Fe-Ni systems” Slovenia-Serbia bilateral project
2013-2014 “Enhancement of hydrogen production and storage processes – experimental and theoretical aspects” Portugal-Serbia bilateral project

Selected publications
1. K.Batalović, J.Radaković, J.Belošević-Čavor, V.Koteski,Transition metal doping of Mg2FeH6 – a DFT insight into synthesis and electronic structure, Phys.Chem.Chem.Phys.16 (2014)12356-12361
2. K.Batalović, V.Koteski, D.Stojić, Hydrogen Storage in Martensite Ti–Zr–Ni Alloy: A Density Functional Theory Study J Phys Chem C, DOI: 10.1021/jp4101448
3. B.Cekić, K.Ćirić, M.Iordoc, S.Marković, M.Mitrić, D.Stojić, Kinetics of hydrogen absorption in Zr-based alloys J Alloys Compd 559(2013)162-166
4. K.D.Ćirić, A.Kocjan, A.Gradišek,V.J.Koteski, A.M.Kalijadis,V.N.Ivanovski, Z.V. Laušević, D.Lj.Stojić, A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics – Behind substitution of iron by nickel Int J Hydrogen Energy 37(2012)8408-17
5.D.Lj.Stojić, K.D.Ćirić, B.D.Cekić, V.J.Koteski, S.P. Zec, Z.D. Bogdanov,Hydrogenation properties of Hf-Ni intermetallics – Experimental and theoretical investigation, Int J Hydrogen Energy 36(2011)10771-8
6. K.D.Ćirić, V.J.Koteski, D.Lj.Stojić, J.S.Radakovic, V.N.Ivanovski; HfNi and its hydrides – First principles calculations, Int J Hydrogen Energy, 35 (2010) 3572–3577
7.J.Radaković, K.Ćirić, J.Belošević-Čavor, V.Koteski,First-principles study of the thermodynamic properties and electronic structure of compounds from Hf-Ni phase system Comput Mater Sci 49 (2010) 55-59