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  1. Article ; Online: Enhanced Electron Scattering upon Ion Relocation in BaVS

    Márkus, Ferenc / Márkus, Bence G

    Entropy (Basel, Switzerland)

    2019  Volume 21, Issue 8

    Abstract: The present study deals with the anomalous heat capacity peak and thermal conductivity of BaVS 3 near the metal-insulator transition present at 69 K. The transition is related to a structural transition from an orthorhombic to monoclinic phase. Heat ... ...

    Abstract The present study deals with the anomalous heat capacity peak and thermal conductivity of BaVS 3 near the metal-insulator transition present at 69 K. The transition is related to a structural transition from an orthorhombic to monoclinic phase. Heat capacity measurements at this temperature exhibit a significant and relatively broad peak, which is also sample dependent. The present study calculates the entropy increase during the structural transition and we show that the additional entropy is caused by enhanced electron scattering as a result of the structural reorientation of the nuclei. Within the model it is possible to explain quantitatively the observed peak alike structure in the heat capacity and in heat conductivity.
    Language English
    Publishing date 2019-08-20
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2014734-X
    ISSN 1099-4300 ; 1099-4300
    ISSN (online) 1099-4300
    ISSN 1099-4300
    DOI 10.3390/e21080813
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  2. Article: Formation of Paramagnetic Defects in the Synthesis of Silicon Carbide.

    Mukesh, Nain / Márkus, Bence G / Jegenyes, Nikoletta / Bortel, Gábor / Bezerra, Sarah M / Simon, Ferenc / Beke, David / Gali, Adam

    Micromachines

    2023  Volume 14, Issue 8

    Abstract: Silicon carbide (SiC) is a very promising platform for quantum information processing, as it can host room temperature solid state defect quantum bits. These room temperature quantum bits are realized by paramagnetic silicon vacancy and divacancy defects ...

    Abstract Silicon carbide (SiC) is a very promising platform for quantum information processing, as it can host room temperature solid state defect quantum bits. These room temperature quantum bits are realized by paramagnetic silicon vacancy and divacancy defects in SiC that are typically introduced by irradiation techniques. However, irradiation techniques often introduce unwanted defects near the target quantum bit defects that can be detrimental for the operation of quantum bits. Here, we demonstrate that by adding aluminum precursor to the silicon and carbon sources, quantum bit defects are created in the synthesis of SiC without any post treatments. We optimized the synthesis parameters to maximize the paramagnetic defect concentrations-including already established defect quantum bits-monitored by electron spin resonance spectroscopy.
    Language English
    Publishing date 2023-07-28
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2620864-7
    ISSN 2072-666X
    ISSN 2072-666X
    DOI 10.3390/mi14081517
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  3. Article ; Online: DNA mismatch repair protects the genome from oxygen-induced replicative mutagenesis.

    Lózsa, Rita / Németh, Eszter / Gervai, Judit Z / Márkus, Bence G / Kollarics, Sándor / Gyüre, Zsolt / Tóth, Judit / Simon, Ferenc / Szüts, Dávid

    Nucleic acids research

    2023  Volume 51, Issue 20, Page(s) 11040–11055

    Abstract: DNA mismatch repair (MMR) corrects mismatched DNA bases arising from multiple sources including polymerase errors and base damage. By detecting spontaneous mutagenesis using whole genome sequencing of cultured MMR deficient human cell lines, we show that ...

    Abstract DNA mismatch repair (MMR) corrects mismatched DNA bases arising from multiple sources including polymerase errors and base damage. By detecting spontaneous mutagenesis using whole genome sequencing of cultured MMR deficient human cell lines, we show that a primary role of MMR is the repair of oxygen-induced mismatches. We found an approximately twofold higher mutation rate in MSH6 deficient DLD-1 cells or MHL1 deficient HCT116 cells exposed to atmospheric conditions as opposed to mild hypoxia, which correlated with oxidant levels measured using electron paramagnetic resonance spectroscopy. The oxygen-induced mutations were dominated by T to C base substitutions and single T deletions found primarily on the lagging strand. A broad sequence context preference, dependence on replication timing and a lack of transcriptional strand bias further suggested that oxygen-induced mutations arise from polymerase errors rather than oxidative base damage. We defined separate low and high oxygen-specific MMR deficiency mutation signatures common to the two cell lines and showed that the effect of oxygen is observable in MMR deficient cancer genomes, where it best correlates with the contribution of mutation signature SBS21. Our results imply that MMR corrects oxygen-induced genomic mismatches introduced by a replicative process in proliferating cells.
    MeSH term(s) Humans ; Base Pair Mismatch ; DNA Mismatch Repair ; DNA Repair ; DNA Replication ; Mutagenesis ; Mutation ; Oxygen ; Cell Line
    Chemical Substances Oxygen (S88TT14065)
    Language English
    Publishing date 2023-10-04
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 186809-3
    ISSN 1362-4962 ; 1362-4954 ; 0301-5610 ; 0305-1048
    ISSN (online) 1362-4962 ; 1362-4954
    ISSN 0301-5610 ; 0305-1048
    DOI 10.1093/nar/gkad775
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  4. Article ; Online: Interface Amorphization of Two-Dimensional Black Phosphorus upon Treatment with Diazonium Salts.

    Mitrović, Aleksandra / Wild, Stefan / Lloret, Vicent / Fickert, Michael / Assebban, Mhamed / Márkus, Bence G / Simon, Ferenc / Hauke, Frank / Abellán, Gonzalo / Hirsch, Andreas

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2021  Volume 27, Issue 10, Page(s) 3361–3366

    Abstract: Two-dimensional (2D) black phosphorus (BP) represents one of the most appealing 2D materials due to its electronic, optical, and chemical properties. Many strategies have been pursued to face its environmental instability, covalent functionalization ... ...

    Abstract Two-dimensional (2D) black phosphorus (BP) represents one of the most appealing 2D materials due to its electronic, optical, and chemical properties. Many strategies have been pursued to face its environmental instability, covalent functionalization being one of the most promising. However, the extremely low functionalization degrees and the limitations in proving the nature of the covalent functionalization still represent challenges in many of these sheet architectures reported to date. Here we shine light on the structural evolution of 2D-BP upon the addition of electrophilic diazonium salts. We demonstrated the absence of covalent functionalization in both the neutral and the reductive routes, observing in the latter case an unexpected interface conversion of BP to red phosphorus (RP), as characterized by Raman,
    Language English
    Publishing date 2021-01-21
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202003584
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  5. Article: Few-layer Black Phosphorous Catalyzes Radical Additions to Alkenes Faster than Low-valence Metals.

    Tejeda-Serrano, María / Lloret, Vicent / Márkus, Bence G / Simon, Ferenc / Hauke, Frank / Hirsch, Andreas / Doménech-Carbó, Antonio / Abellán, Gonzalo / Leyva-Pérez, Antonio

    ChemCatChem

    2020  Volume 12, Issue 8, Page(s) 2226–2232

    Abstract: The substitution of catalytic metals ... ...

    Abstract The substitution of catalytic metals by
    Language English
    Publishing date 2020-02-25
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2501161-3
    ISSN 1867-3899 ; 1867-3880
    ISSN (online) 1867-3899
    ISSN 1867-3880
    DOI 10.1002/cctc.201902276
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  6. Article ; Online: Fundamental Insights into the Covalent Silane Functionalization of NiFe Layered Double Hydroxides.

    Carrasco, Jose A / Seijas-Da Silva, Alvaro / Oestreicher, Víctor / Romero, Jorge / Márkus, Bence G / Simon, Ferenc / Vieira, Bruno J C / Waerenborgh, João C / Abellán, Gonzalo / Coronado, Eugenio

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Volume 26, Issue 29, Page(s) 6504–6517

    Abstract: Layered double hydroxides (LDHs) are a class of 2D anionic materials exhibiting wide chemical versatility and promising applications in different fields, ranging from catalysis to energy storage and conversion. However, the covalent chemistry of this ... ...

    Abstract Layered double hydroxides (LDHs) are a class of 2D anionic materials exhibiting wide chemical versatility and promising applications in different fields, ranging from catalysis to energy storage and conversion. However, the covalent chemistry of this kind of 2D materials is still barely explored. Herein, the covalent functionalization with silanes of a magnetic NiFe-LDH is reported. The synthetic route consists of a topochemical approach followed by anion exchange reaction with surfactant molecules prior to covalent functionalization with the (3-aminopropyl)triethoxysilane (APTES) molecules. The functionalized NiFe-APTES was fully characterized by X-ray diffraction, infrared spectroscopy, electron microscopy, thermogravimetric analysis coupled with mass spectrometry and
    Language English
    Publishing date 2020-04-06
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.201905397
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  7. Article ; Online: Isotropic-polar phase transitions in an amphiphilic fluid: density functional theory versus computer simulations.

    Giura, Stefano / Márkus, Bence G / Klapp, Sabine H L / Schoen, Martin

    Physical review. E, Statistical, nonlinear, and soft matter physics

    2013  Volume 87, Issue 1, Page(s) 12313

    Abstract: We investigate the critical line separating isotropic from polar phases in an amphiphilic bulk fluid by means of density functional theory (DFT) and Monte Carlo (MC) simulations in the isothermal-isobaric ensemble. The intermolecular interactions are ... ...

    Abstract We investigate the critical line separating isotropic from polar phases in an amphiphilic bulk fluid by means of density functional theory (DFT) and Monte Carlo (MC) simulations in the isothermal-isobaric ensemble. The intermolecular interactions are described by a Lennard-Jones potential in which the attractive contribution is modified by an orientation-dependent function. The latter consists of two terms: The first one has the orientation dependence of a classical three-dimensional Heisenberg interaction, whereas, the second one has the orientation dependence of a classical dipole-dipole interaction. However, both contributions are short range. Employing DFT together with a modified mean-field (MMF) approximation for the orientation-dependent pair correlation function, we derive an analytical expression for the critical line separating isotropic from polar liquidlike phases. In parallel MC simulations, we locate the line of critical points through an analysis of Binder's second-order cumulant of the polar-order parameter. Comparison with DFT shows that the dipolelike contribution is irrelevant for the isotropic-polar phase transition. As far as the Heisenberg contribution is concerned, the MC data are in semiquantitative agreement with the DFT predictions for sufficiently strong coupling between molecular orientations. For weaker coupling, the variation in the ratio of critical density and temperature ρ(c)/T(c) with the Heisenberg coupling constant ε(H) is underestimated by the MMF treatment. The MC results suggest that this is because ρ(c) increases with decreasing ε(H) such that the assumption on which the MMF approach rests becomes less applicable in the weaker-coupling limit.
    MeSH term(s) Anisotropy ; Colloids/chemistry ; Computer Simulation ; Hydrophobic and Hydrophilic Interactions ; Models, Chemical ; Models, Statistical ; Phase Transition ; Rheology/methods
    Chemical Substances Colloids
    Language English
    Publishing date 2013-01
    Publishing country United States
    Document type Comparative Study ; Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1550-2376
    ISSN (online) 1550-2376
    DOI 10.1103/PhysRevE.87.012313
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  8. Article: Enhancement of X-ray-Excited Red Luminescence of Chromium-Doped Zinc Gallate via Ultrasmall Silicon Carbide Nanocrystals.

    Beke, Dávid / Nardi, Marco V / Bortel, Gábor / Timpel, Melanie / Czigány, Zsolt / Pasquali, Luca / Chiappini, Andrea / Bais, Giorgio / Rudolf, Mátyás / Zalka, Dóra / Bigi, Franca / Rossi, Francesca / Bencs, László / Pekker, Aron / Márkus, Bence G / Salviati, Giancarlo / Saddow, Stephen E / Kamarás, Katalin / Simon, Ferenc /
    Gali, Adam

    Chemistry of materials : a publication of the American Chemical Society

    2021  Volume 33, Issue 7, Page(s) 2457–2465

    Abstract: X-ray-activated near-infrared luminescent nanoparticles are considered as new alternative optical probes due to being free of autofluorescence, while both their excitation and emission possess a high penetration ... ...

    Abstract X-ray-activated near-infrared luminescent nanoparticles are considered as new alternative optical probes due to being free of autofluorescence, while both their excitation and emission possess a high penetration efficacy
    Language English
    Publishing date 2021-03-18
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1500399-1
    ISSN 1520-5002 ; 0897-4756
    ISSN (online) 1520-5002
    ISSN 0897-4756
    DOI 10.1021/acs.chemmater.0c04671
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  9. Article ; Online: Characterizing the maximum number of layers in chemically exfoliated graphene.

    Szirmai, Péter / Márkus, Bence G / Chacón-Torres, Julio C / Eckerlein, Philipp / Edelthalhammer, Konstantin / Englert, Jan M / Mundloch, Udo / Hirsch, Andreas / Hauke, Frank / Náfrádi, Bálint / Forró, László / Kramberger, Christian / Pichler, Thomas / Simon, Ferenc

    Scientific reports

    2019  Volume 9, Issue 1, Page(s) 19480

    Abstract: An efficient route to synthesize macroscopic amounts of graphene is highly desired and bulk characterization of such samples, in terms of the number of layers, is equally important. We present a Raman spectroscopy-based method to determine the typical ... ...

    Abstract An efficient route to synthesize macroscopic amounts of graphene is highly desired and bulk characterization of such samples, in terms of the number of layers, is equally important. We present a Raman spectroscopy-based method to determine the typical upper limit of the number of graphene layers in chemically exfoliated graphene. We utilize a controlled vapour-phase potassium intercalation technique and identify a lightly doped stage, where the Raman modes of undoped and doped few-layer graphene flakes coexist. The spectra can be unambiguously distinguished from alkali doped graphite, and modeling with the typical upper limit of the layers yields an upper limit of flake thickness of five layers with a significant single-layer graphene content. Complementary statistical AFM measurements on individual few-layer graphene flakes find a consistent distribution of the layer numbers.
    Language English
    Publishing date 2019-12-20
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-019-55784-6
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