@misc{RudorfSchmidt, author = {Rudorf, Wolfram W. and Schmidt, Peer}, title = {Studies on synthetic galloalunites AGa3(SO4)2(OH)6: Synthesis, Thermal analysis, and X-ray characterization}, series = {Thermochimica Acta}, volume = {521}, journal = {Thermochimica Acta}, number = {1-2}, doi = {10.1016/j.tca.2011.04.013}, pages = {112 -- 120}, abstract = {Stoichiometric end member galloalunites of the general formula AGa3(SO4)2(OH)6, with A = Na+, K+, Rb+, H3O+, and NH4+ have been synthesized under hydrothermal conditions. These galloalunites were characterized by chemical methods, thermal analysis (DSC, TG coupled with mass spectroscopy), and powder X-ray diffraction (XRD). The stages of thermal decomposition of sodium, potassium and rubidium galloalunite show a common decomposition mechanism forming β-Ga2O3 and A2SO4 (A = Na+, K+, and Rb+) while ammonium and oxonium galloalunite decompose under formation of pure β-Ga2O3. The thermogravimetric results confirmed the analytical results on the galloalunites and thereby verified the stoichiometry of these synthetic products. Galloalunites with different monovalent cations in A site (i.e. Na+, K+, Rb+, H3O+ and NH4+) crystallize in the rhombohedral space group R-3m (\#166). The effects of substitution on the unit cell parameters are rationalized in terms of the structural arrangements in galloalunites. The unit cell parameter c increases with increasing effective ionic radii of the cation in the A site, whereas the parameter a changes to a much lesser degree.}, language = {en} } @misc{ZhangHerklotzHieckmannetal., author = {Zhang, Xi and Herklotz, Frank and Hieckmann, Ellen and Weber, J{\"o}rg and Schmidt, Peer}, title = {Vapor phase growth of ZnO single crystals}, series = {Journal of Vacuum Science and Technology : A}, volume = {29}, journal = {Journal of Vacuum Science and Technology : A}, doi = {10.1116/1.3553461}, pages = {03A107}, abstract = {Zinc oxide is a promising wide band gap semiconductor for future optoelectronic devices. Today ZnO bulk single crystals are grown by three different techniques: hydrothermally, from the melt, and by chemical vapor transport. For our studies, the authors employed in addition a simple and low cost vapor phase method which gives us good quality crystals and flexibility in crystal doping. The as-grown needle-shaped single crystals were characterized by resistivity measurements, scanning electron microscopy, electron backscatter diffraction, and low temperature photoluminescence spectroscopy.}, language = {en} } @misc{TschulikHoffmannFokwaetal., author = {Tschulik, Kristina and Hoffmann, Stefan and Fokwa, Boniface P. T. and Gilleßen, Michael and Schmidt, Peer}, title = {Studies regarding the homogeneity range of the zirconium phosphide telluride Zr2+xPTe2}, series = {Solid State Sciences}, volume = {12}, journal = {Solid State Sciences}, number = {12}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2010.08.022}, pages = {2030 -- 2035}, abstract = {The phosphide tellurides Zr2+δPTe2 (0 ≤ δ ≤ 1) can be synthesized from the elements in a solid state reaction or by thermal decomposition of Z. Zr2PTe2 decomposes under release of Te2(g) + P4(g) forming the homogeneity range Zr2+δPTe2. The growth of single crystals of Zr2+δPTe2 succeeded by chemical vapour transport using iodine as transport agent from 830 °C in direction of higher temperatures up to 900 °C. Zr2+δPTe2 crystallizes in the rhombohedral space group R-3m (no. 166) with lattice parameters a = 383(1)…386(1) pm and c = 2935(4)…2970(4) pm for δ = 0…1, respectively. Single crystal data have been determined for Zr2.40(2)PTe2 with lattice parameters a = 385.24(4) pm and c = 2967.8(4) pm. The electronic structure and chemical bonding in Zr2+δPTe2 was investigated by the linear muffin-tin orbital (LMTO) method. Both Zr2PTe2 and Zr3PTe2 show non-vanishing DOS values at the Fermi level (EF) indicating metallic character. According to COHP bonding analyses, mainly the heteroatomic Zr-P and Zr-Te bonds are responsible for the structural stability of Zr3PTe2. The new Zr2-Te bond, which is not present in Zr2PTe2, is stronger than Zr1-Te and is thought to be responsible for the stability of phases having Zr in excess.}, language = {en} } @misc{JahnBlaudeckBaumannetal., author = {Jahn, Stephan F. and Blaudeck, Thomas and Baumann, Reinhard R. and Jakob, Alexander and Ecorchard, Petra and R{\"u}ffer, Tobias and Lang, Heinrich and Schmidt, Peer}, title = {Inkjet Printing of Conductive Silver Patterns by Using the First Aqueous Particle-Free MOD Ink without Additional Stabilizing Ligands}, series = {Chemistry of Materials}, volume = {22}, journal = {Chemistry of Materials}, number = {10}, issn = {1520-5002}, doi = {10.1021/cm9036428}, pages = {3067 -- 3071}, abstract = {The chemical and physical properties of [AgO2C(CH2OCH2)3H] (3) and its use as an aqueous, ligand-free MOD ink (MOD = metal-organic decomposition) for piezo inkjet printing is discussed. The printed, thermal, or photochemical sintered silver features are electrically conductive on glass (2.7 × 107 S m-1) and PET (PET = polyethylene terephthalate) substrates (1.1 × 107 S m-1) corresponding to 43\% and 18\% of the bulk silver conductivity. Conducted tape tests show the suitability of the ink for particularly polymer substrates. TG-MS studies demonstrate a two-step decomposition for the conversion of 3 to elemental silver. The structure of 3 in the solid state was determined by single X-ray structure determination.}, language = {en} } @misc{MuellerSchwarzSchmidtetal., author = {M{\"u}ller, Carola J. and Schwarz, Ulrich and Schmidt, Peer and Schnelle, Walter and Doert, Thomas}, title = {High-Pressure Synthesis, Crystal Structure, and Properties of GdS2 with Thermodynamic Investigations in the Phase Diagram Gd-S,}, series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie}, volume = {636}, journal = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie}, number = {6}, issn = {1521-3749}, doi = {10.1002/zaac.201000015}, pages = {947 -- 953}, abstract = {Gadolinium disulfide was prepared by high-pressure synthesis at 8 GPa and 1173 K. It crystallizes in the monoclinic space group P121/a1 (No. 14) with lattice parameters a = 7.879(1) {\AA}; b = 3.936(1) {\AA}, c = 7.926(1) {\AA} and β = 90.08(1)°. The crystal structure is a twofold superstructure of the aristotype ZrSSi and consists of puckered cationic [GdS]+ double slabs that are sandwiched by planar sulfur sheets containing S22- dumbbells. The thermal decomposition of GdS2 proceeds via the sulfur-deficient polysulfides GdS1.9, GdS1.85 and GdS1.77 and eventually results in the sesquisulfide Gd2S3. GdS2 is a paramagnetic semiconductor which orders antiferromagnetically at TN = 7.7(1) K. A metamagnetic transition is observed in the magnetically ordered state.}, language = {en} } @misc{JahnJakobBlaudecketal., author = {Jahn, Stephan F. and Jakob, Alexander and Blaudeck, Thomas and Schmidt, Peer and Lang, Heinrich and Baumann, Reinhard R.}, title = {Inkjet printing of conductive patterns with an aqueous solution of [AgO2C(CH2OCH2)3H] without any additional stabilizing ligands}, series = {Thin Solid Films}, volume = {518}, journal = {Thin Solid Films}, number = {12}, issn = {0040-6090}, doi = {10.1016/j.tsf.2010.01.030}, pages = {3218 -- 3222}, abstract = {The use of silver(I)-2-[2-(2-methoxyethoxy)ethoxy]acetate, [AgO2C(CH2OCH2)3H], and its application as an aqueous metal-organic decomposition (MOD) inkjet ink is reported. The chemical and physical properties of the silver carboxylate and the ink formulated thereof are discussed. The ink meets all requirements of piezo driven inkjet printing. The printed features were converted into electrically conducting silver patterns by thermal or photo-thermal treatment. The conversion of [AgO2C(CH2OCH2)3H] to elemental silver follows a two-step decomposition as demonstrated by thermogravimetry-mass spectrometry (TG-MS) measurements. The measured conductivities of the printed features on glass and polyethylene-terephthalate (PET) are 2.7 × 107 S m-1 and 1.1 × 107 S m-1, respectively, which correspond to 43\% (glass) and 18\% (PET) of the bulk silver conductivity.}, language = {en} } @misc{BenndorfHohmannSchmidtetal., author = {Benndorf, Christopher and Hohmann, Andrea and Schmidt, Peer and Eckert, Hellmut and Johrendt, Dirk and Sch{\"a}fer, Konrad and P{\"o}ttgen, Rainer}, title = {2D 31P Solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7}, series = {Journal of Solid State Chemistry}, volume = {235}, journal = {Journal of Solid State Chemistry}, doi = {10.1016/j.jssc.2015.12.028}, pages = {139 -- 144}, abstract = {Phase pure polycrystalline PbP7 was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published 31P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the 31P chemical shift and structural parameters. PbP7 decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP7 as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s2 lone pairs in the electron localization function ELF.}, language = {en} } @misc{SchmidtEfimova, author = {Schmidt, Peer and Efimova, Anastasia}, title = {Thermal Characterization of Ionic Liquids}, series = {OnSet : News, Facts and Professional Solutions for Thermal Analysis}, volume = {15}, journal = {OnSet : News, Facts and Professional Solutions for Thermal Analysis}, pages = {14 -- 17}, abstract = {Ionic liquids (ILs) are currently of high interest due to their high performance physicochemical properties over a wide tempera¬ture range of existence of the liquid state. Among the ionic liquids investigated, 1-alkyl- 3-methylimidazolium halides were found generally preferred for their low melting points and ease of handling and preparation.}, language = {en} } @misc{HeinemannSchmidt, author = {Heinemann, Robert and Schmidt, Peer}, title = {Thermodynamic analysis of crystal growth of zinc oxide}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {642}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {18}, issn = {1521-3749}, doi = {10.1002/zaac.201690018}, pages = {1064}, abstract = {Chemical vapor transport (CVT[1]) is a suitable method for production of single-crystals of high purity. In order to find proper strategies for CVT various tools of thermodynamic calculations and analysis of solid-gas equilibria are available. Those applications are demonstrated for vapor transport of zinc oxide under addition of phosphorous and water.}, language = {en} } @misc{PfisterSchaeferOttetal., author = {Pfister, Daniela and Sch{\"a}fer, Konrad and Ott, Claudia and Gerke, Birgit and P{\"o}ttgen, Rainer and Janka, Oliver and Baumgartner, Maximilian and Efimova, Anastasia and Hohmann, Andrea and Schmidt, Peer and Venkatachalam, Sabarinathan and W{\"u}llen, Leo van and Sch{\"u}rmann, Ulrich and Kienle, Lorenz and Duppel, Viola and Parzinger, Eric and Miller, Bastian and Becker, Jonathan and Holleitner, Alexander and Weihrich, Richard and Nilges, Tom}, title = {Inorganic double helices in semiconducting SnIP}, series = {Advanced Materials}, volume = {28}, journal = {Advanced Materials}, number = {44}, issn = {1521-4095}, doi = {10.1002/adma.201603135}, pages = {9783 -- 9791}, abstract = {SnIP is the first atomic-scale double helical semiconductor featuring a 1.86 eV bandgap, high structural and mechanical flexibility, and reasonable thermal stability up to 600 K. It is accessible on a gram scale and consists of a racemic mixture of right- and left-handed double helices composed by [SnI] and [P] helices. SnIP nanorods <20 nm in diameter can be accessed mechanically and chemically within minutes.}, language = {en} } @misc{SchoeneichHohmannSchmidtetal., author = {Sch{\"o}neich, Michael and Hohmann, Andrea and Schmidt, Peer and Pielnhofer, Florian and Bachhuber, Frederik and Weihrich, Richard and Osters, Oliver and K{\"o}pf, Marianne and Nilges, Tom}, title = {Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization}, series = {Zeitschrift f{\"u}r Kristallographie - Crystalline Materials}, volume = {232}, journal = {Zeitschrift f{\"u}r Kristallographie - Crystalline Materials}, number = {1-3}, issn = {2194-4946}, doi = {10.1515/zkri-2016-1966}, pages = {91 -- 105}, abstract = {The application of the EnPhaSyn (theoretical Energy diagrams, experimental Phase formation, Synthesis and characterisation) concept is reviewed with respect to prediction of structures and stability of element allotropes and compound polymorphs, their phase formation and transition processes, and their directed synthesis, respectively. Therein, the relative energetical stability (En) of target compounds and possible decomposition are determined from quantum chemical DFT calculations. Phase formation and transition (Pha) is probed by a gas balance method, developed as high temperature gas balance concept. It helped to study the synthesis and stability range of several compounds experimentally. Applications of the concept and synthesis principles (Syn) of non-equilibrium phases are presented for allotropes of P, As, P1-xAsx, as well as binary and ternary compounds including the Zintl and Laves like phases IrPTe, NiP2, CoSbS, NiBiSe, Li0.2CdP2, Cu3CdCuP10, and Cd4Cu7As.}, language = {en} } @misc{ZeugnerKaiserSchmidtetal., author = {Zeugner, Alexander and Kaiser, Martin and Schmidt, Peer and Menshchikova, Tatiana V. and Rusinov, Igor P. and Markelov, Anton V. and Van den Broek, Wouter and Chulkov, Evgueni V. and Doert, Thomas and Ruck, Michael and Isaeva, Anna}, title = {Modular Design with 2D Topological-Insulator Building Blocks: Optimized Synthesis and Crystal Growth and Crystal and Electronic Structures of BiₓTeI (x = 2, 3)}, series = {Chemistry of Materials}, volume = {29}, journal = {Chemistry of Materials}, number = {3}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b05038}, pages = {1321 -- 1337}, abstract = {Structural engineering of topological bulk materials is systematically explored with regard to the incorporation of the buckled bismuth layer [Bi₂], which is a 2D topological insulator per se, into the layered BiTeI host structure. The previously known bismuth telluride iodides, BiTeI and Bi₂TeI, offer physical properties relevant for spintronics. Herewith a new cousin, Bi₃TeI (sp.gr. R3m, a = 440.12(2) pm, c = 3223.1(2) pm), joins the ranks and expands this structural family. Bi₃TeI = [Bi₂][BiTeI] represents a stack with strictly alternating building blocks. Conditions for reproducible synthesis and crystal-growth of Bi₂TeI and Bi₃TeI are ascertained, thus yielding platelet-like crystals on the millimeter size scale and enabling direct measurements. The crystal structures of Bi₂TeI and Bi₃TeI are examined by X-ray diffraction and electron microscopy. DFT calculations predict metallic properties of Bi₃TeI and an unconventional surface state residing on various surface terminations. This state emerges as a result of complex hybridization of atomic states due to their strong intermixing. Our study does not support the existence of new stacking variants BiₓTeI with x > 3; instead, it indicates a possible homogeneity range of Bi₃TeI. The series BiTeI-Bi₂TeI-Bi₃TeI illustrates the influence of structural modifications on topological properties.}, language = {en} } @techreport{SchmidtEfimova, author = {Schmidt, Peer and Efimova, Anastasia}, title = {Thermal Characterization of Ionic Liquids}, publisher = {NETZSCH-Ger{\"a}tebau GmbH}, address = {Selb}, pages = {14 -- 17}, abstract = {Ionic liquids (ILs) are currently of high interest due to their high performance physicochemical properties over a wide temperature range of existence of the liquid state. Among the ionic liquids investigated, 1-alkyl-3-methylimidazolium halides were found generally preferred for their low melting points and ease of handling and preparation.}, language = {en} } @misc{WelsSchmidt, author = {Wels, Martin and Schmidt, Peer}, title = {Crystal growth of ternary phases with homogeneity range: Modeling and experiments}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {642}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {18}, issn = {1521-3749}, doi = {10.1002/zaac.201690018}, pages = {1066}, abstract = {Synthesizing crystals of ternary solid solutions M2Q3 (M=Bi, Q=Se, Te) with definite composition requires advanced knowledge on the phase relations in the system. By chemical vapor transport [1] the request of homogeneous crystallization can be fulfilled. The experimental scope gets supported by modeling. A phase diagram of the pseudobinary system generated with FactSage [2] (Fig. 1) provides the thermodynamic parameters of the miscibility gap respectively the solid solution. Additionally, these parameters are used to optimize the processes while chemical vapor transport with iodine [3]. The optimum transport conditions of ϑsource = 500 °C and ϑsink = 450 °C has been applied as for the synthesis of the binary compounds [4]. Both by modeling and experiments the congruent transport can be demonstrated, Fig. 2.}, language = {en} } @book{Schmidt, author = {Schmidt, Peer}, title = {Allgemeine Chemie, Teil 1: Atombau und Periodensystem}, publisher = {Springer Spektrum}, address = {Heidelberg [u.a.]}, isbn = {978-3-662-47347-4}, pages = {56}, abstract = {Aufbau der Atome und die Ordnung der chemischen Elemente im Periodensystem}, language = {de} } @book{SchmidtBinnewiesFinze, author = {Schmidt, Peer and Binnewies, Michael and Finze, Maik}, title = {Anorganische Chemie, Band 2: Gruppe 2, Gruppe 13}, edition = {1. Auflage}, publisher = {Springer}, address = {Heidelberg}, isbn = {978-3-662-47549-2}, pages = {61}, abstract = {Elemente der Gruppe 2 (Erdalkalimetalle); Elemente der Gruppe 13}, language = {de} } @book{SchmidtBinnewiesFinze, author = {Schmidt, Peer and Binnewies, Michael and Finze, Maik}, title = {Anorganische Chemie, Band 3: Gruppe 14, Ressourceneffizienz}, edition = {1. Auflage}, publisher = {Springer}, address = {Heidelberg}, isbn = {978-3-662-47561-4}, pages = {62}, abstract = {Elemente der Gruppe 14 (Tetrele); Strategien der Ressourceneffizienz}, language = {de} } @book{SchmidtBinnewiesFinze, author = {Schmidt, Peer and Binnewies, Michael and Finze, Maik}, title = {Anorganische Chemie, Band 4: Gruppen 15 und 16}, edition = {1. Auflage}, publisher = {Springer}, address = {Heidelberg}, isbn = {978-3-662-47565-2}, pages = {70}, abstract = {Gruppe 15 (Pnikogene); Gruppe 16 (Chalkogene)}, language = {de} } @book{SchmidtBinnewiesFinze, author = {Schmidt, Peer and Binnewies, Michael and Finze, Maik}, title = {Anorganische Chemie, Band 5: Gruppen 17 und 18}, edition = {1. Auflage}, publisher = {Springer}, address = {Heidelberg}, isbn = {978-3-662-47547-8}, pages = {57}, abstract = {Gruppe 17 (Halogene); Gruppe 18 (Edelgase)}, language = {de} } @book{BinnewiesFinzeJaeckeletal., author = {Binnewies, Michael and Finze, Maik and J{\"a}ckel, Manfred and Schmidt, Peer and Willner, Helge and Rayner-Canham, Geoff}, title = {Allgemeine und Anorganische Chemie}, edition = {3., vollst{\"a}ndig {\"u}berarbeitetet Auflage}, publisher = {Springer}, address = {Heidelberg}, isbn = {978-3-662-45066-6}, pages = {965}, abstract = {Der Lehrstoff der Allgemeinen und Anorganischen Chemie f{\"u}r die ersten zwei Semester des Chemiestudiums. Ausgewogene Stoffdarstellung mit vielen Einblicken in hochaktuelle Themen und Anwendungen. Mit zahlreichen neuen Inhalten und Aktualisierungen, etwa zu großtechnischen Verfahren, zur zunehmenden Bedeutung seltener Elemente wie Gallium und Indium f{\"u}r Hightech-Produkte, zu Rohstoffen f{\"u}r Zukunftstechnologien, zum Schweißen und L{\"o}ten, zu Magnetwerkstoffen und W{\"a}rmespeichern. Die Nomenklatur ist an die aktuellen IUPAC-Regeln angepasst.}, language = {de} } @book{Schmidt, author = {Schmidt, Peer}, title = {Allgemeine Chemie, Teil 2: Chemische Bindungen 1}, publisher = {Springer Spektrum}, address = {Heidelberg [u.a.]}, isbn = {978-3-662-47516-4}, pages = {54}, abstract = {Prinzipien der chemischen Bindung in Metallen und in Ionenkristallen}, language = {de} } @book{Schmidt, author = {Schmidt, Peer}, title = {Allgemeine Chemie, Teil 3: Chemische Bindungen 2}, publisher = {Springer Spektrum}, address = {Heidelberg [u.a.]}, isbn = {978-3-662-47563-8}, pages = {56}, abstract = {Konzepte zur Beschreibung der Struktur und chemischen Bindung in Molek{\"u}len}, language = {de} } @book{Schmidt, author = {Schmidt, Peer}, title = {Allgemeine Chemie, Teil 4: Thermodynamik und Kinetik}, publisher = {Springer Spektrum}, address = {Heidelberg [u.a.]}, isbn = {978-3-662-47518-8}, pages = {56}, abstract = {Thermodynamische Kenngr{\"o}ßen zu Beschreibung chemischer Gleichgewichte und zeitabh{\"a}ngige Einstellung des chemischen Gleichgewichts}, language = {de} } @book{SchmidtNilges, author = {Schmidt, Peer and Nilges, Tom}, title = {Allgemeine Chemie, Teil 5: Wissenschaftliches Arbeiten}, publisher = {Springer Spektrum}, address = {Berlin [u.a.]}, isbn = {978-3-662-47539-3}, pages = {37}, abstract = {Prinzipien des wissenschaftlichen Arbeitens und Methodik zur Erstellung von Protokollen, Kurzberichten, Projektberichten und wissenschaftlichen Publikationen}, language = {de} } @misc{SchmidtHohmannNilgesetal., author = {Schmidt, Peer and Hohmann, Andrea and Nilges, Tom and K{\"o}pf, Marianne and Weihrich, Richard}, title = {Synthesis of Element Allotropes of Arsenic and Phosphorus by Application of Electromotive Series of Solids}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {640}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {11}, issn = {1521-3749}, doi = {10.1002/zaac.201490026}, pages = {2386}, abstract = {Calculation of electromotive series of solids allows easy prediction of reaction pathways[1]. Using the electromotive series of systems As-P-O and As-P-X (X = F, Cl, Br, I) the formation of element allotropes via the oxide and halide compounds in thermite type reactions can be deduced: phosphorous will reduce the arsenic oxides to elemental arsenic, forming grey or black allotrope, depending on reaction mixture composition.}, language = {en} }