Here you can find current publications of our research group.

selected highlights

  • (179)
    Tuning the Vacancy Concentration in Lithium Germanium Antimony Tellurides – Influence on Phase Transitions, Lithium Mobility, and Thermoelectric Properties
    S. Schwarzmüller, M. Jakob, M. Nentwig, T. Schröder, A. Kuhn, A. Düvel, P. Heitjans, O. Oeckler
    Chem. Mater. 201830, 7970 – 7978.
  • (178)
    Cornucopia of Structures in the Pseudobinary System (SnSe)xBi2Se3: A Crystal-Chemical Copycat
    F. Heinke, P. Urban, A. Werwein, C. Fraunhofer, T. Rosenthal, S. Schwarzmüller, D. Souchay, F. Fahrnbauer, V. Dyadkin, G. Wagner, O. Oeckler
    Inorg. Chem. 201857, 4427 – 4440.
  • (177)
    Structure and thermoelectric properties of the silver lead bismuth selenides Ag5Pb9Bi19Se40 and AgPb3Bi7Se14
    F. Heinke, F. Nietschke, C. Fraunhofer, I. Dovgaliuk, J. Schiller, O. Oeckler
    Dalton Trans. 201847, 12431 – 12438.
  • (167)
    Cation disorder and vacancies in the sulfosalt-like phase Sn4.11Bi22.60Se38 - A resonant X-ray diffraction study
    F. Heinke, A. Werwein, O. Oeckler
    J. Alloys Compd. 2017701, 581 – 586.
  • (165)
    The Crystal Structures of Pb5Sb4S11 (Boulangerite) – A Phase Transition Explains Seemingly Contradictory Structure Models
    P. Schultz, F. Nietschke, G. Wagner, C. Eikemeier, L. Eisenburger, O. Oeckler
    Z. Anorg. Allg. Chem. 2017643, 1531 – 1542.
  • (162)
    Transparent flexible thermoelectric material based on non-toxic earthabundant p-type copper iodide thin film
    C. Yang, D. Souchay, M. Kneiß, M. Bogner, H. M. Wei, M. Lorenz, O. Oeckler, G. Bennstetter, Y. Q. Fu, M. Grundmann
    Nature Commun. 20178, 16076.
  • (145)
    Discovery and Structure Determination of an Unusual Sulfide Telluride through an Effective Combination of TEM and Synchrotron Microdiffraction
    F. Fahrnbauer, T. Rosenthal, T. Schmutzler, G. Wagner, G. B. M. Vaughan, J. P. Wright, O. Oeckler
    Angew. Chem. 2015127, 10158 – 10161; Angew. Chem. Int. Ed. Engl. 201554, 10020 – 10023.
  • (144)
    Heterostructures of skutterudites and germanium antimony tellurides – structure analysis and thermoelectric properties of bulk samples
    F. Fahrnbauer, S. Maier, M. Grundei, N. Giesbrecht, M. Nentwig, T. Rosenthal, G. Wagner, G. J. Snyder, O. Oeckler
    J. Mater. Chem. C. 20153, 10525 – 10533.
  • (143)
    Silver indium telluride semiconductors and their solid solutions with cadmium indium telluride: structure and physical properties
    S. Welzmiller, F: Hennersdorf, R. Schlegel, A. Fitch, G. Wagner, O. Oeckler
    Inorg. Chem. 201554, 5745 – 5756.
  • (130)
    Real structure of Ge4Bi2Te7: refinement on diffuse scattering data with the 3D-ΔPDF method
    P. Urban, A. Simonov, T. Weber, O. Oeckler
    J. Appl. Crystallogr. 201548, 200 – 211.
  • (129)
    TAGS-related indium compounds and their thermoelectric properties – the solid solution series (GeTe)xAgInySb1-yTe2 (x = 1 – 12; y = 0.5 and 1)
    T. Schröder, T. Rosenthal, N. Giesbrecht, S. Maier, E.-W. Scheidt, W. Scherer, G. J. Snyder, W. Schnick, O. Oeckler
    J. Mater. Chem. A 20142, 6384 – 6395.
  • (128)
    Enhancing the thermoelectric properties of germanium antimony tellurides by substitution with selenium in compounds GenSb2(Te1-xSex)n+3 (0 ≤ x ≤ 0.5; n ≥ 7)
    T. Rosenthal, P. Urban, K. Nimmrich, L. Schenk, J. de Boor, C. Stiewe, O. Oeckler
    Chem. Mater. 201426, 2567 – 2578.
  • (127)
    Nanostructures in TAGS thermoelectric materials induced by phase transitions associated with vacancy ordering
    T. Schröder, T. Rosenthal, N. Giesbrecht, M. Nentwig, S. Maier, H. Wang, G. J. Snyder, O. Oeckler
    Inorg. Chem. 201453, 7722 – 7729.
  • (124)
    Novel superstructure of the rocksalt type and element distribution in germanium tin antimony tellurides
    T. Rosenthal, S. Welzmiller, L. Neudert, P. Urban, A. Fitch, O. Oeckler
    J. Solid State Chem. 2014219, 108 – 117.
  • (119)
    The Solid Solution Series (GeTex)(LiSbTe2)2 (1 ≤ x ≤ 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2
    T. Schröder, S. Schwarzmüller, C. Stiewe, J. de Boor, M. Hölzel, O. Oeckler
    Inorg. Chem. 201352, 11288 – 11294.
  • (118)
    Determination of the distribution of elements with similar electron counts: a practical guide for resonant X-ray scattering
    S. Welzmiller, P. Urban, F. Fahrnbauer, L. Erra, O. Oeckler
    J. Appl. Crystallogr. 201346, 769 – 778.
  • (117)
    Temperature-dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5
    P. Urban, M. N. Schneider, L. Erra, S. Welzmiller, F. Fahrnbauer, O. Oeckler
    CrystEngComm 201315, 4823 – 4829.
  • (107)
    From metastable to stable modifications – in situ Laue diffraction investigation of diffusion processes during the phase transitions of (GeTe)nSb2Te3 (6 < n < 15) crystals
    M. N. Schneider, X. Biquard, C. Stiewe, T. Schröder, P. Urban, O. Oeckler
    Chem. Commun. 201248, 2192 – 2194.
  • (106)
    Elemental Distribution and Thermoelectric Properties of Layered Tellurides 39R-M0.067Sb0.667Te0.266 (M = Ge, Sn)
    M. N. Schneider, F. Fahrnbauer, T. Rosenthal, M. Döblinger, C. Stiewe, O. Oeckler
    Chem. Eur. J. 201218, 1209 – 1218.
  • (101)
    Real Structure and Thermoelectric Properties of GeTe-Rich Germanium Antimony Tellurides
    T. Rosenthal, M. N. Schneider, C. Stiewe, M. Döblinger, O. Oeckler
    Chem. Mater. 201123, 4349 – 4356.
  • (100)  
    Nanostructures in metastable GeBi2Te4 obtained by high-pressure synthesis and rapid quenching and their influence on physical properties
    T. Schröder, M. N. Schneider, T. Rosenthal, A. Eisele, C. Gold, E.-W. Scheidt, W. Scherer, R. Berthold, O. Oeckler
    Phys. Rev. B 201184, 184104.
  • (92)
    From phase-change materials to thermoelectrics?
    M. N. Schneider, T. Rosenthal, C. Stiewe, O. Oeckler
    Z. Kristallogr. 2010224, 463 – 470.
  • (91)
    Ambiguities in the the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder
    M. N. Schneider, M. Seibald, P. Lagally, O. Oeckler
    J. Appl. Crystallogr. 201043, 1012 – 1020.
  • (90)
    Influence of stress and strain on the kinetic stability and phase transitions of cubic and pseudocubic Ge-Sb-Te materials
    M. N. Schneider, P. Urban, A. Leineweber, M. Döblinger, O. Oeckler
    Phys. Rev. B 201081, 184102.
  • (84)
    A new series of long-range ordered metastable phases in the system M-Sb-Te (M = Ge, Ag)
    M. N. Schneider, M. Seibald and O. Oeckler
    Dalton Trans. 2009, 2004 – 2011.
  • (183)
    Targeting Vacancies in Nitridosilicates: Aliovalent Substitution of M2+ (M = Ca, Sr) by Sc3+ and U3+
    P. Bielec, L. Eisenburger, H. L. Deubner, D. Günther, F. Kraus, O. Oeckler, W.Schnick
    Angew. Chem. 2019131, 850 – 853; Angew. Chem. Int. Ed. Engl. 201958, 840 – 843.
  • (173)
    RE4Ba2[Si12O2N16C3]:Eu2+ (RE = Lu, Y): Green-Yellow Emitting Oxonitrido carbidosilicates with a Highly Condensed Network Structure Unraveled through Synchrotron Microdiffraction
    C. Maak, L. Eisenburger, J. P. Wright, M. Nentwig, P. J. Schmidt, O. Oeckler, W. Schnick
    Inorg. Chem. 201857, 13840 – 13846.
  • (168)
    Highly Symmetric AB2 Framework Related to Tridymite in the Disordered Nitridosilicate La24Sr14-7x[Si36N72](O1-xFx)14 (x = 0.489)
    L. Neudert, D. Durach, F. Fahrnbauer, G. B. M. Vaughan, W. Schnick, O. Oeckler
    Inorg. Chem. 201756, 13070 – 13077.
  • (160)
    Puzzling Intergrowth in Cerium Nitridophosphate Unraveled by Joint Venture of Aberration-Corrected Scanning Transmission Electron Microscopy and Synchrotron Diffraction
    S. D. Kloß, L. Neudert, M. Döblinger, M. Nentwig, O. Oeckler, W. Schnick
    J. Am. Chem. Soc. 2017139, 12724 – 12735.
  • (159)
    An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedral and structure determination from microcrystalline samples
    L. Neudert, F. Heinke, T. Bräuniger, F. Pucher, G. B. Vaughan, O. Oeckler, W. Schnick
    Chem. Commun. 201753, 2709 – 2712.
  • (153)
    From Minor Side Phases to Bulk Samples of Lanthanum Oxonitridosilicates: An Investigation with Microfocused Synchrotron Radiation
    D. Durach, P. Schultz, O. Oeckler, W. Schnick
    Inorg. Chem. 201655, 3624 – 3629.
  • (152)
    M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type
    A. Marchuk, P. Schultz, C. Hoch, O. Oeckler, W. Schnick
    Inorg. Chem. 201655, 974 – 982.
  • (135)
    La3BaSi5N9O2:Ce3+ − A Yellow Phosphor with an Unprecedented Tetrahedra Network Structure Investigated by Combination of Electron Microscopy and Synchrotron X‑ray Diffraction
    D. Durach, L. Neudert, P. J. Schmidt, O. Oeckler, W. Schnick
    Chem. Mater. 2015, 27, 4832 – 4838.
  • (122)
    Highly Efficient pc-LED Phosphors Sr1-xBaxSi2O2N2:Eu2+ (0 ≤ x ≤ 1) - Crystal Structures and Luminescence Properties Revisited
    M. Seibald, T. Rosenthal, O. Oeckler, W. Schnick
    Crit. Rev. Solid State Mater. Sci.. 201439, 215 – 229.
  • (110)
    New Polymorph of the Highly Efficient LED-Phosphor SrSi2O2N2:Eu2+ – Polytypism of a Layered Oxonitridosilicate
    M. Seibald, T. Rosenthal, O. Oeckler, C. Maak, A. Tücks, P. J. Schmidt, D. Wiechert, W. Schnick
    Chem. Mater. 2013, 25, 1852 – 1857.
  • (105)
    Unexpected Luminescence Properties of Sr0.25Ba0.75Si2O2N2:Eu2+ – A Narrow Blue Emitting Oxonitridosilicate with Cation Ordering
    M. Seibald, T. Rosenthal, O. Oeckler, F. Fahrnbauer, A. Tücks, P. J. Schmidt, W. Schnick
    Chem. Eur. J. 201218, 13446 – 13452.
  • (98)
    Real structure and diffuse scattering of Sr0.5Ba0.5Si2O2N2:Eu2+ - A highly efficient yellow phosphor for pc-LEDs
    M. Seibald, O. Oeckler, V. R. Celinski, P. J. Schmidt, A. Tücks, W. Schnick
    Solid State Sci.  201113, 1769 – 1778.
  • (85)
    Sr5Al5+xSi21-xN35-xO2+x:Eu2+ (x ≈ 0) - a Novel Green Phosphor for White Light pcLEDs with a Disordered Intergrowth Structure
    O. Oeckler, J. Kechele, H. Koss, P. Schmidt and W. Schnick
    Chem. Eur. J. 200915, 5311 – 5319.
  • (66)
    Real Structure of SrSi2O2N2
    O. Oeckler, F. Stadler, T. Rosenthal and W. Schnick
    Solid State Sci. 20079, 205 – 212.
  • (86)
    Material Properties and Structural Characterization of M3Si6O12N2:Eu2+ (M = Ba, Sr) – A Comprehensive Study on a Promising Green Phosphor for pc-LEDs
    C. Braun, M. Seibald, S. L. Börger, O. Oeckler, T. D. Boyko, A. Moewes, G. Miehe, A. Tücks, W. Schnick
    Chem. Eur. J. 201016, 9646 – 9657.
  • (78)
    Ba2AlSi5N9 - a new host lattice for Eu2+ -doped luminescent materials comprising a nitridoalumosilicate framework with corner- and edge-sharing tetrahedra
    J. Kechele, C. Hecht, O. Oeckler, P. Schmidt and W. Schnick
    Chem. Mater. 200921, 1288 – 1295.
  • (58)
    Crystal Structure, Physical Properties and HRTEM Investigation of the New Oxonitridosilicate EuSi2O2N2
    F. Stadler, O. Oeckler, H. A. Höppe, M. H. Möller, R. Pöttgen, B. D. Mosel, P. Schmidt, V. Duppel, A. Simon and W. Schnick
    Chem. Eur. J. 200612, 6984 – 6990.
  • (51)
    SrSi6N8 – A Reduced Nitridosilicate with a Si-Si Bond
    F. Stadler, O. Oeckler, J. Senker, H. A. Höppe, P. Kroll and W. Schnick
    Angew. Chem. 2005117, 573 – 576; Angew. Chem. Int. Ed. Engl. 200544, 567 – 570.
  • (46)
    Ca[Si2O2N2] – ein neuartiges Schichtsilicat
    H. A. Höppe, F. Stadler, O. Oeckler and W. Schnick
    Angew. Chem. 2004116, 5656 – 5659; Angew. Chem. Int. Ed. Engl. 200443, 5540 – 5542.
  • (181)
    A High-Pressure Praseodymium Fluoride Borate Linking Multiple Structural Features of Apatite-Type Compounds
    M. Glätzle, A. Pitscheider, O. Oeckler, K. Wurst, H. Huppertz
    Chem. Eur. J. 201925, 1767 – 1772.
  • (176)
    Phase transitions to superionic Li2Te and Li2Se – A high-temperature neutron powder diffraction study, atom displacements, probability density functions and atom potentials
    J. Schneider, T. Schröder, M. Hoelzel, O. Kluge, W. W. Schmahl, O. Oeckler
    Solid State Ionics 2018325, 90 – 101.
  • (121)
    CaMg2P6O3N10 – A Quinary Oxonitridophosphate with an Unprecedented Tetrahedra Network Structure Type
    A. Marchuk, L. Neudert, O. Oeckler, W. Schnick
    Eur. J. Inorg. Chem. 2014, 3427 – 3434.
  • (111)
    Quecksilberazide und das Azid der Millonschen Base
    H. Lund, O. Oeckler, T. Schröder, A. Schulz, A. Villinger
    Angew. Chem. 2013125, 11101 – 11105.
  • (73)
    Reliability of Monte Carlo simulations of disordered structures optimized with evolutionary algorithms – exemplified with diffuse scattering of La0.70(1)(Al0.14(1)I0.86(1))
    T. Weber, A. Simon, Hj. Mattausch, L. Kienle and O. Oeckler
    Acta Cryst. Sect. A 200864, 641 – 653.
  • (53)
    Cluster-Fehlordnung und Ordnungsprinzipien in Al-stabilisiertem „LaI”
    O. Oeckler, T. Weber, L. Kienle, Hj. Mattausch and A. Simon
    Angew. Chem. 2005117, 3985 - 3989; Angew. Chem. Int. Ed. Engl. 200544, 3917 - 3921.
  • (30)
    Ln13Br18B3 (Ln=Gd, Tb) – eine Verbindung mit einer Kombination von diskreten und kondensierten Clustern
    O. Oeckler, L. Kienle, Hj. Mattausch and A. Simon
    Angew. Chem. 2002114, 4431 – 4433; Angew. Chem. Int. Ed. Engl. 200241, 4257 – 4259.
  • (88)
    Intermediate States on the Way to Edge-sharing BO4 Tetrahedra in M6B22O39 · H2O (M = Fe, Co)
    S. C. Neumair, J. S. Knyrim, O. Oeckler, R. Glaum, R. Kaindl, R. Stalder, H. Huppertz
    Chem. Eur. J. 201016, 13659 – 13670.
  • (41)
    LixH12-x-y+z[P12OyN24-y]Clz –  ein Oxonitridophosphat mit zeolithartiger Gerüststruktur aus Dreierringen
    S. Correll, O. Oeckler, N. Stock and W. Schnick
    Angew. Chem. 2003115, 3674 – 3677; Angew. Chem. Int. Ed. Engl. 200342, 3549 – 3552.
  • (32)
    Twinning and Intergrowth of Rare Earth Boride Carbides
    O. Oeckler, J. Bauer, V. Duppel, Hj. Mattausch and A. Simon
    Acta Crystallogr. Sect. B 200258, 161 – 167.
  • (50)
    Kristall- und Realstrukturuntersuchungen zur wiederkehrenden Supraleitung in „La5B2C6
    A. Simon, V. Babizhetskyy, O. Oeckler, Hj. Mattausch, J. Bauer and R. K. Kremer
    Z. Anorg. Allg. Chem. 2005631, 316 – 326.
  • (31)
    Intergrowth Phases of Tetragonal Rare Earth Boride Carbides
    O. Oeckler, V. Duppel, J. Bauer, Hj. Mattausch, and A. Simon
    Z. Anorg. Allg. Chem 2002628, 1607 – 1614.
  • (23)
    Über die Kristallstruktur der Phase La5B2C6
    O. Oeckler, J. Bauer, Hj. Mattausch and A. Simon
    Z. Anorg. Allg. Chem. 2001627, 779 – 788.
  • (9)
    Synthesis, Characterization, Structural and Theoretical Analysis od Gd4B3C4: A Novel Rare Earth Borocarbide Containing Two Different Boron-Carbon Arrangements
    C. Jardin, O. Oeckler, Hj. Mattausch, A. Simon, J.-F. Halet, J.-Y. Saillard and Josef Bauer
    Inorg. Chem. 200039, 5895 – 5900.
  • (65)
    Einige Phosphidhalogenide des Lanthans und verwandte Verbindungen
    O. Oeckler, Hj. Mattausch and A. Simon
    Z. Naturforsch. 200762b, 1377 – 1382.
  • (8)
    Y21I18C14B7 – Synthesis, Average Structure, and Structural Misfit
    O. Oeckler, V. Duppel, Hj. Mattausch and A. Simon
    Inorg. Chem. 199938, 1767 – 1771.
  • (2)
    Y16I19C8B4 – ein Yttriumboridcarbidhalogenid mit B2C4-Einheiten
    O. Oeckler, Hj. Mattausch and A. Simon
    Z. Anorg. Allg. Chem. 1998624, 1834 – 1838.
    B and B–C as interstitials in reduced rare earth halides
    Hj. Mattausch, O. Oeckler and A. Simon
    Inorganica Chimica Acta 1999289, 174 – 190.
  • (180)
    Platinum(II) and copper(II) complexes of 7-azaindole-3-carboxaldehyde: crystal structures, IR and Raman spectra, DFT calculations and in vitro antiproliferative activity of the platinum(II) complex
    B. Morzyk-Ociepa, K. Szmigiel-Bakalarz, M. Nentwig, O. Oeckler, M. Malik-Gajewska, E. Turlej, J. Wietrzyk, D. Michalska
    Inorg. Chim. Acta 2019490, 68 – 77.
  • (57)
    Synthesis and Properties of the First Möbius Annulenes
    D. Ajami, K. Hess, F. Köhler, C. Näther, O. Oeckler, A. Simon, C. Yamamoto, Y. Okamoto and R. Herges
    Chem. Eur. J. 200612, 5434 – 5445.
  • (40)
    Synthesis of a Möbius aromatic hydrocarbon
    D. Ajami, O. Oeckler, A. Simon and R. Herges
    Nature 2003426, 819 – 821.
  • (17)
    New Types of Complexes Based on ReChalcocyanide Clusters – Syntheses and Crystal Structures of [Ni(NH3)5]2[Re4Te4(CN)12] × 3.4 H2O and [Cd(NH3)5][Cd(NH3)3][Re4Te4(CN)12] × 4 H2O
    Y. V. Mironov, O. Oeckler, A. Simon and V. E. Fedorov
    Eur. J. Inorg. Chem. 20012001, 2751 – 2753.
  • (150)
    Structural and electrical study of the topological insulator SnBi2Te4 at high pressure
    R. Vilaplana, J. A. Sans, F. J. Manjón, A. Andrada-Chacón, J. Sánchez-Benítez, C. Popescu, O. Gomis, A. L. J. Pereira, B. García-Domene, P. Rodríguez-Hernández, A. Muñoz, D. Daisenberger, O. Oeckler
    J. Alloys Compd. 2017685, 962 – 970.
  • (3)
    Phase Transitions of Silicasodalite under High Pressure – Single Crystal Studies with Synchrotron Radiation
    O. Oeckler, S. Werner, H. Schulz and P. Behrens
    Rev. High Pressure Sci. Technol. 19987, 139 – 141.

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