Nada Mrkyvkova

Institute of Physics of the Slovak Academy of Sciences

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Peter Šiffalovič

Centre for Advanced Material Application of the Slovak Academy of Sciences

E. Majková

Institute of Physics of the Slovak Academy of Sciences

Frank Schreiber

University of Tübingen

Peter Nádaždy

Slovak Academy of Sciences

M. Jergel

Slovak Academy of Sciences

Karol Végsö

Slovak Academy of Sciences

Michaela Sojková

Institute of Electrical Engineering of the Slovak Academy of Sciences

Jakub Hagara

University of Tübingen

Martin Hulman

Institute of Electrical Engineering of the Slovak Academy of Sciences

Martin Hodas

University of Tübingen

Cooperative Institutions

Slovak Academy of Sciences

Institute of Chemistry of the Slovak Academy of Sciences

Institute of Physics of the Slovak Academy of Sciences

Czech Academy of Sciences, Institute of Physics

Comenius University Bratislava

École Polytechnique Fédérale de Lausanne

Centre National de la Recherche Scientifique

Polish Academy of Sciences

University of Pavia

University of Tübingen

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Reorientation of π-conjugated molecules on few-layer MoS₂ films

Physical Chemistry Chemical Physics (2020)

Jakub Hagara Nada Mrkyvkova Peter Nádaždy Martin Hodas Michal Bodík

We show that small π-conjugated molecules adopt a lying-down orientation when deposited on few-layer MoS₂ with horizontally oriented layers. In contrast, for vertically aligned MoS₂ layers, DIP molecules are arranged in a standing-up manner.

10.1039/c9cp05728e

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Citations (11)

Early-stage growth observations of orientation-controlled vacuum-deposited naphthyl end-capped oligothiophenes

Physical Review Materials (2021)

Mathias K. Huss-Hansen Martin Hodas Nada Mrkyvkova Jakub Hagara Peter Nádaždy

We report on the real-time structure formation and growth of two thiophene-based organic semiconductors, $5,{5}^{\ensuremath{'}}$-bis(naphth-2-yl)-$2,{2}^{\ensuremath{'}}$-bi- and $5,{5}^{\ensuremath{'}\ensuremath{'}}$-bis(naphth-2-yl)-$2,{2}^{\ensuremath{'}}$:${5}^{\ensuremath{'}},{2}^{\ensuremath{'}\ensuremath{'}}$-terthiophene (NaT2 and NaT3), studied in situ during vacuum deposition by grazing-incidence x-ray diffraction and supported by atomic force microscopy and photoabsorption spectroscopy measurements on corresponding ex situ samples. On device-relevant silicon dioxide substrates, for both molecules the growth is observed to transition from two-dimensional (2D) layer-by-layer growth to three-dimensional (3D) growth after the formation of a few-molecule-thick wetting layer. The crystal structure of the NaT2 film is considerably more ordered than the NaT3 counterpart, and there is a significant collective change in the unit cell during the initial stage of growth, indicating strain relief from substrate induced strain as the growth transitions from two to three dimensions. In addition, the orientation of the film molecules are controlled by employing substrates of horizontally and vertically oriented few-layer molybdenum disulfide. Both molecules form needle-like crystals on horizontally oriented ${\mathrm{MoS}}_{2}$ layers, while the NaT3 molecules form tall, isolated islands on vertically oriented ${\mathrm{MoS}}_{2}$ layers. The molecules are standing on silicon dioxide and on vertically oriented ${\mathrm{MoS}}_{2}$, but lying flat on horizontally oriented ${\mathrm{MoS}}_{2}$. These results demonstrate the importance of film-substrate interactions on the thin-film growth and microstructure formation in naphthyl-terminated oligothiophenes.

Terthiophene

10.1103/physrevmaterials.5.053402

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Quasi-2d Ruddlesden-Popper Phase Induced Preferentially Oriented Fa1-Xmaxpbi3 for High-Performance Sequential Perovskite Solar Cells

Zihao Li Marie Cresp Karol Végsö Nada Mrkyvkova Peter Šiffalovič

10.2139/ssrn.4978513

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Combined in Situ Photoluminescence and X-ray Scattering Reveals Defect Formation in Lead-Halide Perovskite Films

The Journal of Physical Chemistry Letters (2021)

Nada Mrkyvkova Vladimír Held Peter Nádaždy Riyas Subair E. Majková

Lead-halide perovskites have established a firm foothold in photovoltaics and optoelectronics due to their steadily increasing power conversion efficiencies approaching conventional inorganic single-crystal semiconductors. However, further performance improvement requires reducing defect-assisted, nonradiative recombination of charge carriers in the perovskite layers. A deeper understanding of perovskite formation and associated process control is a prerequisite for effective defect reduction. In this study, we analyze the crystallization kinetics of the lead-halide perovskite MAPbI3-xClx during thermal annealing, employing in situ photoluminescence (PL) spectroscopy complemented by lab-based grazing-incidence wide-angle X-ray scattering (GIWAXS). In situ GIWAXS measurements are used to quantify the transition from a crystalline precursor to the perovskite structure. We show that the nonmonotonous character of PL intensity development reflects the perovskite phase volume, as well as the occurrence of the defects states at the perovskite layer surface and grain boundaries. The combined characterization approach enables easy determination of defect kinetics during perovskite formation in real-time.

10.1021/acs.jpclett.1c02869

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Citations (29)

Surface-Controlled Crystal Alignment of Naphthyl End-Capped Oligothiophene on Graphene: Thin-Film Growth Studied by in Situ X-ray Diffraction

Langmuir (2020)

Mathias K. Huss-Hansen Martin Hodas Nada Mrkyvkova Jakub Hagara Bjarke B. E. Jensen

We report on the microstructure, morphology, and growth of 5,5′-bis(naphth-2-yl)-2,2′-bithiophene (NaT2) thin films deposited on graphene, characterized by grazing incidence X-ray diffraction (GIXRD) and complemented by atomic force microscopy (AFM) measurements. NaT2 is deposited on two types of graphene surfaces: custom-made samples where chemical vapor deposition (CVD)-grown graphene layers are transferred onto a Si/SiO2 substrate by us and common commercially transferred CVD graphene on Si/SiO2. Pristine Si/SiO2 substrates are used as a reference. The NaT2 crystal structure and orientation depend strongly on the underlying surface, with the molecules predominantly lying down on the graphene surface (face-on orientation) and standing nearly out-of-plane (edge-on orientation) on the Si/SiO2 reference surface. Post growth GIXRD and AFM measurements reveal that the crystalline structure and grain morphology differ depending on whether there is polymer residue left on the graphene surface. In situ GIXRD measurements show that the thickness dependence of the intensity of the (111) reflection from the crystalline edge-on phase does not intersect zero at the beginning of the deposition process, suggesting that an initial wetting layer, corresponding to 1–2 molecular layers, is formed at the surface–film interface. By contrast, the (111) reflection intensity from the crystalline face-on phase grows at a constant rate as a function of film thickness during the entire deposition.

Crystal (programming language)

10.1021/acs.langmuir.9b03467

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Photo-ferroelectric perovskite interfaces for boosting VOC in efficient perovskite solar cells

Nature Communications (2024)

Giovanni Pica Lorenzo Pancini Christopher E. Petoukhoff Badri Vishal Francesco Toniolo

Interface engineering is the core of device optimization, and this is particularly true for perovskite photovoltaics (PVs). The steady improvement in their performance has been largely driven by careful manipulation of interface chemistry to reduce unwanted recombination. Despite that, PVs devices still suffer from unavoidable open circuit voltage (V

Boosting

10.1038/s41467-024-53121-8

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Citations (2)

Novel highly substituted thiophene-based n-type organic semiconductor: structural study, optical anisotropy and molecular control

CrystEngComm (2020)

Jakub Hagara Nada Mrkyvkova Lucia Feriancová Martin Putala Peter Nádaždy

Oligothiophenes and their functionalized derivatives have been shown to be a viable option for high-performance organic electronic devices.

Organic semiconductor

Optical anisotropy

10.1039/d0ce01171a

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Molecular modification of spiro[fluorene-9,9′-xanthene]-based dopant-free hole transporting materials for perovskite solar cells

Journal of Materials Chemistry A (2024)

Vinay Kumar Deepak Kumar Rohit D. Chavan Kodali Phani Kumar Bommaramoni Yadagiri

Two spiro-OMeTAD analogues featuring a spiro[fluorene-9,9-xanthene] central core have been designed and applied in PSCs as dopant-free HTLs. The device based on SP-SMe reveals better performance and operational stability than the spiro-OMeTAD-based device.

Xanthene

10.1039/d3ta07851e

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Citations (11)

Simultaneous measurement of X-ray scattering and photoluminescence during molecular deposition

Journal of Luminescence (2022)

Nada Mrkyvkova Vladimír Held Yuriy Halahovets Peter Nádaždy M. Jergel

Deposition

Wide-angle X-ray scattering

SIGNAL (programming language)

10.1016/j.jlumin.2022.118950

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Citations (1)

Simultaneous Monitoring of Molecular Thin Film Morphology and Crystal Structure by X-ray Scattering

Crystal Growth & Design (2020)

Nada Mrkyvkova Peter Nádaždy Martin Hodas Jianwei Chai Shijie Wang

Hybrid materials of π-conjugated molecular semiconductors combined with two-dimensional (2D) materials exhibit a significant potential for novel (opto)electronics. The overall characteristics of molecular growth, such as molecular packing, crystallographic structure, and morphology, determine the specific application. The growth studies are thus key for understanding and improving these systems. So far, a simultaneous real-time study of the thin film morphology evolution along with its crystalline phase on a 2D substrate has not been performed. Here, we report on an additional feature of surface-sensitive grazing-incidence wide-angle X-ray scattering (GIWAXS). We show that refraction induced multiple scattering effects can be employed to reveal the morphology-related growth modes of a thin organic layer on a 2D underlayer together with the crystallographic structure and molecular orientation. A thorough description of the dynamic scattering effects is provided, allowing a detailed study of the Bragg peak splitting in the out-of-plane direction. We discuss the influence of the material-related parameters, such as stress and growth type, on the mutual position of the split peaks during the growth. Furthermore, we show that the time-resolved GIWAXS enables the observation of the electron density variation in real time. Our findings should be considered as a general feature of GIWAXS that can be applied to various types of thin films, where the temporal evolution of morphology, molecular arrangement, and crystallographic structure are of interest.

Grazing-incidence small-angle scattering

Wide-angle X-ray scattering

Crystal (programming language)

Morphology

10.1021/acs.cgd.0c00448

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Citations (6)