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Mirjana Dimitrievska

2020 - present Scientist École Polytechnique Fédérale de Lausanne (EPFL), Switzerland 2016 - 2019 Postdoctoral Fellow (dual appointment) National Renewable Energy Laboratory (NREL), Golden, CO, USA 2016 - 2019 Postdoctoral Fellow (dual appointment) NIST Center for Neutron Research (NCNR), National Institute for Standards and Technology (NIST), Gaithersburg, MD, USA 2013 - 2016 Marie Curie PhD Fellowship Catalonia Institute for Energy Research (IREC), Barcelona , Spain 2015 Guest researcher (two months) ABENGOA Solar, Seville, Spain 2015 Guest researcher (two months) University of Bath, Bath, United Kingdom 2014 Guest researcher (two months) Autonomous University of Madrid (UAM), Madrid, Spain 2013 Guest researcher (four months)Helmholtz-Zentrum Berlin (HZB), Berlin, Germany 2010 – 2013 Research Assistant University of Novi Sad, Novi Sad, Serbia

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La spectroscopie Raman (ou spectrométrie Raman) et la microspectroscopie Raman sont des méthodes non destructives d'observation et de caractérisation de la composition moléculaire et de la structure

Les méthodes expérimentales scientifiques consistent à tester la validité d'une hypothèse, en reproduisant un phénomène (souvent en laboratoire) et en faisant varier un paramètre. Le paramètre que l

L'effet photovoltaïque est un des effets photoélectriques. Il permet la production d'électricité à partir du rayonnement solaire et est mis en œuvre en particulier dans les cellules photovoltaïques.

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Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors

Mirjana Dimitrievska, Anna Fontcuberta i Morral, Andrea Giunto, Iléane Tiphaine Françoise Marie Lefevre, Santhanu Panikar Ramanandan, Elias Zsolt Stutz

Barium zirconium sulfide (BaZrS3) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable solution for effective synthesis, especially from the perspective of circumventing the difficulty of handling alkali earth metals. In this work, we explore in detail the synthesis of BaZrS3 from Ba-Zr-O oxide precursor films sulfurized at temperatures ranging from 700 degrees C to 1000 degrees C. We propose a formation mechanism of BaZrS3 based on a two-step reaction involving an intermediate amorphization step of the BaZrO3 crystalline phase. We show how the diffusion of sulfur (S) species in the film is the rate-limiting step of this reaction. The processing temperature plays a key role in determining the total fraction of conversion from oxide to sulfide phase at a constant flow rate of the sulfur-containing H2S gas used as a reactant. Finally, we observe the formation of stoichiometric BaZrS3 (1:1:3), even under Zr-rich precursor conditions, with the formation of ZrO2 as a secondary phase. This marks BaZrS3 quite unique among the other types of chalcogenides, such as chalcopyrites and kesterites, which can instead accommodate quite a large range of non-stoichiometric compositions. This work opens up a pathway for further optimization of the BaZrS3 synthesis process, straightening the route towards future applications of this material.

IOP Publishing Ltd2023

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Nanoscale Growth Initiation as a Pathway to Improve the Earth-Abundant Absorber Zinc Phosphide

Mirjana Dimitrievska, Simon Robert Escobar Steinvall, Anna Fontcuberta i Morral, Jean-Baptiste Leran, Rajrupa Paul, Elias Zsolt Stutz, Mahdi Zamani

Growth approaches that limit the interface area between layers to nanoscale regions are emerging as a promising pathway to limit the interface defect formation due to mismatching lattice parameters or thermal expansion coefficient. Interfacial defect mitigation is of great interest in photovoltaics as it opens up more material combinations for use in devices. Herein, an overview of the vapor-liquid-solid and selective area epitaxy growth approaches applied to zinc phosphide (Zn3P2), an earth-abundant absorber material, is presented. First, we show how different morphologies, including nanowires, nanopyramids, and thin films, can be achieved by tuning the growth conditions and growth mechanisms. The growth conditions are also shown to greatly impact the defect structure and composition of the grown material, which can vary considerably from the ideal stoichiometry (Zn3P2). Finally, the functional properties are characterized. The direct band gap could accurately be determined at 1.50 +/- 0.1 eV, and through complementary density functional theory calculations, we can identify a range of higher-order band gap transitions observed through valence electron energy loss spectroscopy and cathodoluminescence. Furthermore, we outline the formation of rotated domains inside of the material, which are a potential origin of defect transitions that have been long observed in zinc phosphide but not yet explained. The basic understanding provided reinvigorates the potential use of earth-abundant II-V semiconductors in photovoltaic technology. Moreover, the transferrable nanoscale growth approaches have the potential to be applied to other material systems, as they mitigate the constraints of substrate-material combinations causing interface defects.

AMER CHEMICAL SOC2022

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Predictive synthesis–structure–property relationships are at the core of materials design for novel applications. In this regard, correlations between the compositional stoichiometry variations and functional properties are essential for enhancing the performance of devices based on these materials. In this work, we investigate the effect of stoichiometry variations and defects on the structural and optoelectronic properties of monocrystalline zinc phosphide (Zn3P2), a promising compound for photovoltaic applications. We use experimental methods, such as electron and x-ray diffraction and Raman spectroscopy, along with density functional theory calculations, to showcase favorable creation of P interstitial defects over Zn vacancies in P-rich and Zn-poor compositional regions. Photoluminescence and absorption measurements show that these defects create additional energy level at about 180 meV above the valence band. Furthermore, they lead to the narrowing of the bandgap, due to the creation of band tails in the region of around 10-20 meV above the valence and below the conduction band. The ability of zinc phosphide to form off-stoichiometric compounds provides a new dimension promising opportunity for tunable functionality that benefits applications. In that regard, this study is crucial for further development of zinc phosphide and its application in optoelectronic and photovoltaic devices, and should pave the way for defect engineering in this kind of a material.

2022

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