TY - GEN A1 - Osters, Oliver A1 - Nilges, Tom A1 - Schöneich, Michael A1 - Schmidt, Peer A1 - Rothballer, Jan A1 - Pielnhofer, Florian A1 - Weihrich, Richard T1 - Cd4Cu7As, the first representative of a fully ordered, orthorhombically distorted MgCu2 Laves phase T2 - Inorganic Chemistry N2 - The ternary Laves phase Cd4Cu7As is the first intermetallic compound in the system Cu–Cd–As and a representative of a new substitution variant for Laves phases. It crystallizes orthorhombically in the space group Pnnm (No. 58) with lattice parameters a = 9.8833(7) Å; b = 7.1251(3) Å; c = 5.0895(4) Å. All sites are fully occupied within the standard deviations. The structure can be described as typical Laves phase, where Cu and As are forming vertex-linked tetrahedra and Cd adopts the structure motive of a distorted diamond network. Cd4Cu7As was prepared from stoichiometric mixtures of the elements in a solid state reaction at 1000 °C. Magnetic measurements are showing a Pauli paramagnetic behavior. During our systematical investigations within the ternary phase triangle Cd–Cu–As the cubic C15-type Laves phase Cd4Cu6.9(1)As1.1(1) was structurally characterized. It crystallizes cubic in the space group Fd3m̅ with lattice parameter a = 7.0779(8) Å. Typically for quasi-binary Laves phases Cu and As are both occupying the 16c site. Chemical bonding, charge transfer and atomic properties of Cd4Cu7As were analyzed by band structure, ELF, and AIM calculations. On the basis of the general formula for Laves phases AB2, Cd is slightly positively charged forming the A substructure, whereas Cu and As represent the negatively charged B substructure in both cases. The crystal structure distortion is thus related to local effects caused by Arsenic that exhibits a larger atomic volume (18 Å3 compared to 13 Å3 for Cu) and higher ionicity in bonding. Y1 - 2012 UR - http://pubs.acs.org/doi/abs/10.1021/ic3005213 U6 - https://doi.org/10.1021/ic3005213 SN - 1520-510X VL - 51 SP - 8119 EP - 8127 ER - TY - GEN A1 - Scholz, Tanja A1 - Dao Quoc, Huong A1 - Schmidt, Peer T1 - Phase barograms – phased diagrams of vapour pressure: Eutectoid Phase Formation in Binary Systems T2 - Thermochimica Acta N2 - Phase barograms are specific representations of conventional (x, T) phase diagrams considering the vapor pressure as additional thermodynamic parameter. Thus, the determination of the vapor pressure is complementary to conventional DTA or DSC measurements. A stringent relationship between the phase diagram and the corresponding phase barogram is derived by thermodynamic considerations of phase relations for complex heterogeneous equilibria. For that purpose, a derivative of the three-dimensional Clausius–Clapeyron equation is utilized. As a result, a validation of DTA/DSC measurements becomes feasible by the transformation of characteristic effects of vapor pressure measurements into thermal effects in conventional phase diagrams. The system CsBr/SeO2 is presented as a case study of systems with a eutectoid phase formation. CsSeO2Br is formed from the binaries at ϑf = 180(5) °C; the compound decomposes peritectically at ϑp = 470(10) °C. KW - Phase barogram KW - Phase diagram KW - Vapor pressure KW - CsBr KW - SeO2 Y1 - 2012 UR - http://www.sciencedirect.com/science/article/pii/S0040603112001979 U6 - https://doi.org/10.1016/j.tca.2012.04.022 VL - 541 SP - 1 EP - 7 ER - TY - GEN A1 - Günther, David A1 - Beckmann, Jens A1 - Schöneich, Michael A1 - Schmidt, Peer A1 - Klepel, Olaf T1 - Porous concrete as a template for the synthesis of porous carbon materials T2 - Carbon N2 - The potential of industrial porous concrete for using as a template for the synthesis of porous carbon materials has been investigated. Carbon replicas of porous concrete have been prepared by carbonization of sucrose. The pores of the resulting carbon materials range from the macropore to the micropore region, pointing to a hierarchy. Y1 - 2012 UR - http://www.sciencedirect.com/science/article/pii/S000862231200173X?np=y U6 - https://doi.org/10.1016/j.carbon.2012.02.039 SN - 0008-6223 VL - 50 IS - 8 SP - 3092 EP - 3116 ER - TY - GEN A1 - Schmidt, Peer A1 - Schöneich, Michael A1 - Bawohl, Melanie A1 - Nilges, Tom A1 - Weihrich, Richard T1 - Thermal analysis detecting equilibrium conditions: The use of the high temperature gas balance for thermogravimetric measurements T2 - Journal of Thermal Analysis and Calorimetry N2 - Several methods are established in thermal analysis to investigate phase formation, phase transition, and decomposition reactions. The analysis of phase equilibria with volatile components is particularly feasible by using standard method of thermogravimetry. Hardly any investigations of phase formation reactions are possible to realize if one of the components is lost by vaporization. By using the “High-Temperature Gas-Balance” (HTGB), the vapor phase is enclosed in a silica ampoule and thus forms an equilibrium gas phase in permanent contact with the solid phase. The measurement signal Δmmeas is caused by change of the leverage of the horizontal balance support during evaporation and condensation. The application of the HTGB allows the analysis of solid–gas equilibria in the working range from 0.01 till 15 bar at temperatures up to 1,100 °C. The first comparison of evaporation reactions determined by standard thermogravimetric analyses and by measurements using the HTGB is given for the inorganic systems: P, As, SeO2, PtI2, and Hg/I. KW - High-Temperature Gas-Balance KW - Thermogravimetry KW - Vapor pressure KW - Equilibrium measurements Y1 - 2012 UR - http://www.akademiai.com/doi/pdf/10.1007/s10973-011-2107-3 U6 - https://doi.org/10.1007/s10973-011-2107-3 SN - 1572-8943 VL - 110 IS - 3 SP - 1511 EP - 1521 ER - TY - GEN A1 - Osters, Oliver A1 - Nilges, Tom A1 - Bachhuber, Frederik A1 - Pielnhofer, Florian A1 - Weihrich, Richard A1 - Schöneich, Michael A1 - Schmidt, Peer T1 - Synthesis and Identification of Metastable Compounds: Black Arsenic—Science or Fiction? T2 - Angewandte Chemie / International edition N2 - Back in black: All metastable and stable phases can be identified for the solid solution arsenic/phosphorus by a combination of quantum-chemical calculations and investigations of the phase formation. Reaction paths for phase formations and transitions in situ were also evaluated. The results show that orthorhombic black arsenic (o-As) is metastable in pure form and has only been previously obtained by stabilizing impurities. KW - arsenic KW - metastable phases KW - phase formation KW - phosphorus KW - solid-state structures Y1 - 2012 UR - http://onlinelibrary.wiley.com/doi/10.1002/anie.201106479/abstract U6 - https://doi.org/10.1002/anie.201106479 SN - 1521-3773 VL - 51 IS - 12 SP - 2994 EP - 2997 ER - TY - GEN A1 - Rudorf, Wolfram W. A1 - Schmidt, Peer T1 - Studies on synthetic galloalunites AGa3(SO4)2(OH)6: Synthesis, Thermal analysis, and X-ray characterization T2 - Thermochimica Acta N2 - 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. KW - Synthesis KW - Galloalunites KW - X-ray diffraction KW - Unit cell parameters KW - Thermal analysis Y1 - 2011 UR - http://www.sciencedirect.com/science/article/pii/S0040603111002310 U6 - https://doi.org/10.1016/j.tca.2011.04.013 VL - 521 IS - 1-2 SP - 112 EP - 120 ER - TY - GEN A1 - Zhang, Xi A1 - Herklotz, Frank A1 - Hieckmann, Ellen A1 - Weber, Jörg A1 - Schmidt, Peer T1 - Vapor phase growth of ZnO single crystals T2 - Journal of Vacuum Science and Technology : A N2 - 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. Y1 - 2011 UR - http://scitation.aip.org/content/avs/journal/jvsta/29/3/10.1116/1.3553461 U6 - https://doi.org/10.1116/1.3553461 VL - 29 SP - 03A107 ER - TY - GEN A1 - Tschulik, Kristina A1 - Hoffmann, Stefan A1 - Fokwa, Boniface P. T. A1 - Gilleßen, Michael A1 - Schmidt, Peer T1 - Studies regarding the homogeneity range of the zirconium phosphide telluride Zr2+xPTe2 T2 - Solid State Sciences N2 - 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. KW - Zirconium phosphide telluride KW - Homogeneity range KW - Thermal decomposition KW - Crystal structure KW - Chemical bonding Y1 - 2010 UR - http://www.sciencedirect.com/science/article/pii/S1293255810003614 U6 - https://doi.org/10.1016/j.solidstatesciences.2010.08.022 SN - 1293-2558 VL - 12 IS - 12 SP - 2030 EP - 2035 ER - TY - GEN A1 - Jahn, Stephan F. A1 - Blaudeck, Thomas A1 - Baumann, Reinhard R. A1 - Jakob, Alexander A1 - Ecorchard, Petra A1 - Rüffer, Tobias A1 - Lang, Heinrich A1 - Schmidt, Peer T1 - Inkjet Printing of Conductive Silver Patterns by Using the First Aqueous Particle-Free MOD Ink without Additional Stabilizing Ligands T2 - Chemistry of Materials N2 - 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. Y1 - 2010 UR - http://pubs.acs.org/doi/abs/10.1021/cm9036428 U6 - https://doi.org/10.1021/cm9036428 SN - 1520-5002 VL - 22 IS - 10 SP - 3067 EP - 3071 ER - TY - GEN A1 - Müller, Carola J. A1 - Schwarz, Ulrich A1 - Schmidt, Peer A1 - Schnelle, Walter A1 - Doert, Thomas T1 - High-Pressure Synthesis, Crystal Structure, and Properties of GdS2 with Thermodynamic Investigations in the Phase Diagram Gd-S, T2 - Zeitschrift für anorganische und allgemeine Chemie N2 - 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) Å; b = 3.936(1) Å, c = 7.926(1) Å 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. KW - Polysulfides KW - Gadolinium KW - High-pressure synthesis KW - X-ray diffraction KW - Phase diagrams Y1 - 2010 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201000015/full U6 - https://doi.org/10.1002/zaac.201000015 SN - 1521-3749 VL - 636 IS - 6 SP - 947 EP - 953 ER - TY - GEN A1 - Jahn, Stephan F. A1 - Jakob, Alexander A1 - Blaudeck, Thomas A1 - Schmidt, Peer A1 - Lang, Heinrich A1 - Baumann, Reinhard R. T1 - Inkjet printing of conductive patterns with an aqueous solution of [AgO2C(CH2OCH2)3H] without any additional stabilizing ligands T2 - Thin Solid Films N2 - 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. KW - Inkjet printing KW - Silver KW - Carboxylate KW - Ethyleneglycol KW - Flexible electronics Y1 - 2010 UR - http://www.sciencedirect.com/science/article/pii/S0040609010000866 U6 - https://doi.org/10.1016/j.tsf.2010.01.030 SN - 0040-6090 VL - 518 IS - 12 SP - 3218 EP - 3222 ER - TY - GEN A1 - Benndorf, Christopher A1 - Hohmann, Andrea A1 - Schmidt, Peer A1 - Eckert, Hellmut A1 - Johrendt, Dirk A1 - Schäfer, Konrad A1 - Pöttgen, Rainer T1 - 2D 31P Solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7 T2 - Journal of Solid State Chemistry N2 - 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. KW - Polyphosphide KW - Solid state NMR spectroscopy KW - Thermochemistry Y1 - 2016 UR - http://www.sciencedirect.com/science/article/pii/S0022459615302942 U6 - https://doi.org/10.1016/j.jssc.2015.12.028 VL - 235 SP - 139 EP - 144 ER - TY - GEN A1 - Schmidt, Peer A1 - Efimova, Anastasia T1 - Thermal Characterization of Ionic Liquids T2 - OnSet : News, Facts and Professional Solutions for Thermal Analysis N2 - 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. KW - Thermal Properties KW - Ionic Liquids Y1 - 2015 UR - https://dcyd0ggl1hia3.cloudfront.net/media/thermal-analysis/customer-magazine/OnSet_15_en_web.pdf?1454325612&Policy=eyJTdGF0ZW1lbnQiOlt7IlJlc291cmNlIjoiaHR0cHM6XC9cL2RjeWQwZ2dsMWhpYTMuY2xvdWRmcm9udC5uZXRcL21lZGlhXC90aGVybWFsLWFuYWx5c2lzXC9jdXN0b21lci1tYWdhemluZVwvT25TZXRfMTVfZW5fd2ViLnBkZj8xNDU0MzI1NjEyIiwiQ29uZGl0aW9uIjp7IkRhdGVMZXNzVGhhbiI6eyJBV1M6RXBvY2hUaW1lIjoxNTMzNzA4MDcwfX19XX0_&Signature=Q9l-r6mgKOmETHkMaU0IDzTKMH~FdduFunQKnxL6AmEhhrVMKNrbho6JK5pYF0NlM1GPkitI2SxlRwwdygr9m654DWkV5Ka4Qw0NA-BkcKczW4G0dX9WWiXbKk12lQGUe2Z1sMy6i9EJ2vW9wZtn8S-mCQHgrNV~hzE~I8BxV-Q_&Key-Pair-Id=APKAIBNUHYIJDHQEJVRQ VL - 15 SP - 14 EP - 17 ER - TY - GEN A1 - Heinemann, Robert A1 - Schmidt, Peer T1 - Thermodynamic analysis of crystal growth of zinc oxide T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - 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. KW - Crystal growth Y1 - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201690018/full U6 - https://doi.org/10.1002/zaac.201690018 SN - 1521-3749 VL - 642 IS - 18 SP - 1064 ER - TY - GEN A1 - Pfister, Daniela A1 - Schäfer, Konrad A1 - Ott, Claudia A1 - Gerke, Birgit A1 - Pöttgen, Rainer A1 - Janka, Oliver A1 - Baumgartner, Maximilian A1 - Efimova, Anastasia A1 - Hohmann, Andrea A1 - Schmidt, Peer A1 - Venkatachalam, Sabarinathan A1 - Wüllen, Leo van A1 - Schürmann, Ulrich A1 - Kienle, Lorenz A1 - Duppel, Viola A1 - Parzinger, Eric A1 - Miller, Bastian A1 - Becker, Jonathan A1 - Holleitner, Alexander A1 - Weihrich, Richard A1 - Nilges, Tom T1 - Inorganic double helices in semiconducting SnIP T2 - Advanced Materials N2 - 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. KW - Helical semiconductor Y1 - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/adma.201603135/full U6 - https://doi.org/10.1002/adma.201603135 SN - 1521-4095 VL - 28 IS - 44 SP - 9783 EP - 9791 ER - TY - GEN A1 - Schöneich, Michael A1 - Hohmann, Andrea A1 - Schmidt, Peer A1 - Pielnhofer, Florian A1 - Bachhuber, Frederik A1 - Weihrich, Richard A1 - Osters, Oliver A1 - Köpf, Marianne A1 - Nilges, Tom T1 - Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization T2 - Zeitschrift für Kristallographie - Crystalline Materials N2 - 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. KW - Arsenic KW - Phosporus KW - DFT KW - energy diagram KW - polymorph structure Y1 - 2017 UR - https://www.degruyter.com/view/j/zkri.ahead-of-print/zkri-2016-1966/zkri-2016-1966.xml U6 - https://doi.org/10.1515/zkri-2016-1966 SN - 2194-4946 VL - 232 IS - 1-3 SP - 91 EP - 105 ER - TY - GEN A1 - Zeugner, Alexander A1 - Kaiser, Martin A1 - Schmidt, Peer A1 - Menshchikova, Tatiana V. A1 - Rusinov, Igor P. A1 - Markelov, Anton V. A1 - Van den Broek, Wouter A1 - Chulkov, Evgueni V. A1 - Doert, Thomas A1 - Ruck, Michael A1 - Isaeva, Anna T1 - Modular Design with 2D Topological-Insulator Building Blocks: Optimized Synthesis and Crystal Growth and Crystal and Electronic Structures of BiₓTeI (x = 2, 3) T2 - Chemistry of Materials N2 - 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. KW - Crytal growth KW - Topological insulator KW - Crystal structure KW - Electronic structure KW - Bismuth layered compounds Y1 - 2017 UR - http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b05038 U6 - https://doi.org/10.1021/acs.chemmater.6b05038 SN - 0897-4756 SN - 1520-5002 VL - 29 IS - 3 SP - 1321 EP - 1337 ER - TY - RPRT A1 - Schmidt, Peer A1 - Efimova, Anastasia T1 - Thermal Characterization of Ionic Liquids N2 - 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. KW - Thermal analysis KW - Ionic liquid Y1 - 2015 UR - https://www.netzsch-thermal-analysis.com/en/service-support/customer-magazine-onset/ SP - 14 EP - 17 PB - NETZSCH-Gerätebau GmbH CY - Selb ER - TY - GEN A1 - Wels, Martin A1 - Schmidt, Peer T1 - Crystal growth of ternary phases with homogeneity range: Modeling and experiments T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - 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. KW - Crystal growth KW - Chemical vapor transport KW - Chalogenides KW - Solid solution KW - Phase diagram Y1 - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201690018/full U6 - https://doi.org/10.1002/zaac.201690018 SN - 1521-3749 VL - 642 IS - 18 SP - 1066 ER - TY - BOOK A1 - Schmidt, Peer T1 - Allgemeine Chemie, Teil 1: Atombau und Periodensystem N2 - Aufbau der Atome und die Ordnung der chemischen Elemente im Periodensystem KW - Allgemeine Chemie KW - Atombau KW - Periodensystem der Elemente Y1 - 2015 SN - 978-3-662-47347-4 PB - Springer Spektrum CY - Heidelberg [u.a.] ER - TY - BOOK A1 - Schmidt, Peer A1 - Binnewies, Michael A1 - Finze, Maik T1 - Anorganische Chemie, Band 2: Gruppe 2, Gruppe 13 N2 - Elemente der Gruppe 2 (Erdalkalimetalle); Elemente der Gruppe 13 KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Erdalkalimetalle KW - Gruppe 13 Y1 - 2016 SN - 978-3-662-47549-2 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Schmidt, Peer A1 - Binnewies, Michael A1 - Finze, Maik T1 - Anorganische Chemie, Band 3: Gruppe 14, Ressourceneffizienz N2 - Elemente der Gruppe 14 (Tetrele); Strategien der Ressourceneffizienz KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Tetrele KW - Gruppe 14 KW - Ressourceneffizienz Y1 - 2016 SN - 978-3-662-47561-4 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Schmidt, Peer A1 - Binnewies, Michael A1 - Finze, Maik T1 - Anorganische Chemie, Band 4: Gruppen 15 und 16 N2 - Gruppe 15 (Pnikogene); Gruppe 16 (Chalkogene) KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Gruppe 15 KW - Pnikogene KW - Gruppe 16 KW - Chalkogene Y1 - 2016 SN - 978-3-662-47565-2 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Schmidt, Peer A1 - Binnewies, Michael A1 - Finze, Maik T1 - Anorganische Chemie, Band 5: Gruppen 17 und 18 N2 - Gruppe 17 (Halogene); Gruppe 18 (Edelgase) KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Gruppe 17 KW - Halogene KW - Gruppe 18 KW - Edelgase Y1 - 2016 SN - 978-3-662-47547-8 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Jäckel, Manfred A1 - Schmidt, Peer A1 - Willner, Helge A1 - Rayner-Canham, Geoff T1 - Allgemeine und Anorganische Chemie N2 - Der Lehrstoff der Allgemeinen und Anorganischen Chemie für 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 für Hightech-Produkte, zu Rohstoffen für Zukunftstechnologien, zum Schweißen und Löten, zu Magnetwerkstoffen und Wärmespeichern. Die Nomenklatur ist an die aktuellen IUPAC-Regeln angepasst. KW - Allgemeine Chemie KW - Anorganische Chemie KW - Atombau KW - Chemische Bindung KW - Hauptgruppenelemente KW - Nebengruppenelemente KW - Lanthanoide KW - Actinoide Y1 - 2016 UR - http://www.springer.com/de/book/9783662450666 SN - 978-3-662-45066-6 SN - 978-3-662-45067-3 PB - Springer CY - Heidelberg ET - 3., vollständig überarbeitetet Auflage ER - TY - BOOK A1 - Schmidt, Peer T1 - Allgemeine Chemie, Teil 2: Chemische Bindungen 1 N2 - Prinzipien der chemischen Bindung in Metallen und in Ionenkristallen KW - Allgemeine Chemie KW - Chemische Bindung KW - Metalle KW - Ionenkristalle Y1 - 2015 SN - 978-3-662-47516-4 PB - Springer Spektrum CY - Heidelberg [u.a.] ER - TY - BOOK A1 - Schmidt, Peer T1 - Allgemeine Chemie, Teil 3: Chemische Bindungen 2 N2 - Konzepte zur Beschreibung der Struktur und chemischen Bindung in Molekülen KW - Allgemeine Chemie KW - Chemische Bindung KW - Moleküle Y1 - 2015 SN - 978-3-662-47563-8 PB - Springer Spektrum CY - Heidelberg [u.a.] ER - TY - BOOK A1 - Schmidt, Peer T1 - Allgemeine Chemie, Teil 4: Thermodynamik und Kinetik N2 - Thermodynamische Kenngrößen zu Beschreibung chemischer Gleichgewichte und zeitabhängige Einstellung des chemischen Gleichgewichts KW - Allgemeine Chemie KW - Chemisches Gleichgewicht KW - Thermodynamik KW - Kinetik Y1 - 2015 SN - 978-3-662-47518-8 PB - Springer Spektrum CY - Heidelberg [u.a.] ER - TY - BOOK A1 - Schmidt, Peer A1 - Nilges, Tom T1 - Allgemeine Chemie, Teil 5: Wissenschaftliches Arbeiten N2 - Prinzipien des wissenschaftlichen Arbeitens und Methodik zur Erstellung von Protokollen, Kurzberichten, Projektberichten und wissenschaftlichen Publikationen KW - Allgemeine Chemie KW - wissenschaftliches Arbeiten KW - wissenschaftliche Berichte und Publikationen Y1 - 2015 SN - 978-3-662-47539-3 PB - Springer Spektrum CY - Berlin [u.a.] ER - TY - GEN A1 - Schmidt, Peer A1 - Hohmann, Andrea A1 - Nilges, Tom A1 - Köpf, Marianne A1 - Weihrich, Richard T1 - Synthesis of Element Allotropes of Arsenic and Phosphorus by Application of Electromotive Series of Solids T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - 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. KW - Element allotropes KW - Arsenic KW - Phosphorus Y1 - 2014 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201490026/full U6 - https://doi.org/10.1002/zaac.201490026 SN - 1521-3749 VL - 640 IS - 11 SP - 2386 ER - TY - GEN A1 - Wolf, Adrian A1 - Doert, Thomas A1 - Stolze, Karoline A1 - Schmidt, Peer T1 - Modeling of Chemical Vapor Transport of Uranium Phosphide Telluride UPTe T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - The crystallization mechanism of uranium phosphide telluride UPTe by chemical vapor transport reaction [1] is presented based on thermodynamic modelling using TRAGMIN program. Evaluation of standard data of all expected species was performed by modeling of the binary phase diagrams U/Te and U/P. Data of UPTe were deduced from known phosphide tellurides[2,3]. Identifying the viable composition area within the quaternary system U/P/Te/I the temperature depending transport equilibria could be obtained. KW - Crystal growth KW - Chemical vapor transport KW - Chalogenides KW - Thermodynamic modeling Y1 - 2014 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201490026/full U6 - https://doi.org/10.1002/zaac.201490026 SN - 1521-3749 VL - 640 IS - 11 SP - 2374 ER - TY - GEN A1 - Heinemann, Robert A1 - Schmidt, Peer T1 - Vapor Transport Investigations using the High-temperature Gas-balance T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - The High-temperature Gas-balance (HTGB[1]) has been established as a new method for investigations of heterogeneous phase equilibria with volatile components [1,2]. This equipment is notably well suited to analyze reversible heterogeneous equilibria which occur during chemical vapor transport reactions (CVT[3]). Experimental proof has been furnished by vapor transports of germanium and germanium(II) telluride using iodine as a transport addition. Initially the sublimation of iodine has been observed (section a – Fig. 1). The formation of GeI4(g) as the actual transport agent follows (b). Finally, the transport reaction occurs under reversible formation GeI2(g) (c). KW - Crystal growth KW - Chemical vapor transport KW - Chalogenides KW - High-temperature gas-balance Y1 - 2014 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201490026/full U6 - https://doi.org/10.1002/zaac.201490026 SN - 1521-3749 VL - 640 IS - 11 SP - 2338 ER - TY - GEN A1 - Schmidt, Peer T1 - Rational Synthesis Design by Application of Electromotive Series of Solid Materials T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - The concept of Electromotive Series of Solids presents an easy tool for prediction and interpretation of red-ox processes of inorganic solid materials. Thus, a rational synthesis design succeeds with low effort compared to complex thermodynamic considerations. The principle has been applied and validated for interpretation of known chemical systems as well for the development of new systems and processes. KW - Inorganic synthesis KW - Thermodynamic modeling KW - electromotive series Y1 - 2014 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201490026/full U6 - https://doi.org/10.1002/zaac.201490026 SN - 1521-3749 VL - 640 IS - 11 SP - 2326 ER - TY - GEN A1 - Efimova, Anastasia A1 - Hubrig, Grit A1 - Pfützner, Linda A1 - Schmidt, Peer T1 - Thermal Stability of Alkyl-Imidazolium-Ionic Liquids T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - The thermochemical behavior of two groups of ionic liquids (ILs), 1-ethyl-3-methylimidazolium [EtMeIm] and 1-butyl-3-methylimidazolium [BuMeIm] halides (Cl, Br and I) was investigated for their crystalline and liquid states in the temperature range from −100 °C to 600 °C using DSC and thermogravimetric analysis (TGA). Some investigated ILs exhibit significant subcooling effect and the glass state formation [1]. The decomposition mechanism has been identified by means of TGA with coupled mass spectrometry (MS). All investigated ILs decompose with a total mass loss of about 100 % in the temperature range of Tonset from 230 to 290 °C (Fig. 1). By complete degradation of IL, dominant fragments CnH2n+1+, CnH2n+, CnHn+, NHn+, and the respective alkyl halides (X = Cl, Br, I) are formed. KW - Ionic liquid KW - Thermal stability Y1 - 2014 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201490026/full U6 - https://doi.org/10.1002/zaac.201490026 SN - 1521-3749 VL - 640 IS - 11 SP - 2391 ER - TY - BOOK A1 - Schmidt, Peer A1 - Binnewies, Michael A1 - Finze, Maik T1 - Anorganische Chemie, Band 1: Elemente, Wasserstoff, Gruppe 1 N2 - Entstehung und Vorkommen der chemischen Elemente; periodische Eigenschaften der Elemente; Wasserstoff; Elemente der Gruppe 1 (Alkalimetalle) KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Wasserstoff KW - Alkalimetalle Y1 - 2016 SN - 978-3-662-47557-7 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - GEN A1 - Pielnhofer, Florian A1 - Bachhuber, Frederik A1 - Schmidt, Peer A1 - Nilges, Tom A1 - Weihrich, Richard T1 - Mit DFT-Modellierungen zu neuen Polyanionenverbindungen T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - Verbindungen mit ionischen Baueinheiten erweisen sich als geeignete Materialien zur Energie- und Ressourcennutzung. Beispiele sind Li-Elektrodenmaterialien oder neue Thermoelektrika, die aufgrund ihrer Teilstrukturen schaltbar werden. Das Design neuer funktionaler Materialien verlangt dabei nach einem grundlegenden Verständnis von Struktur-Eigenschafts-Beziehungen, metastabilen Strukturen und Umwandlungen. Dies bedarf des Einsatzes kombinierter experimenteller und theoretischer Methoden. Zur systematischen Erforschung metastabiler Strukturen wurde jüngst das Konzept der Strukturvorhersage in Energielandschaften mit ab initio Methoden auf das System P1-xAsx angewandt und mit experimentellen Messungen verknüpft. Im nächsten Schritt wurden Verbindungen mit ionischen Teilstrukturen des As, Sb, Se und Te untersucht. Modellhaft wurden nun Zintl-Systemen wie IrPTe und PtSnTe neue mögliche metastabile Strukturen identifiziert und auf Funktionalisierungen untersucht. KW - DFT KW - Chalcogenides Y1 - 2012 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201204137/full U6 - https://doi.org/10.1002/zaac.201204137 N1 - Poster VL - 638 IS - 10 SP - S. 1634 ER - TY - GEN A1 - Nilges, Tom A1 - Osters, Oliver A1 - Schmidt, Peer A1 - Schöneich, Michael A1 - Weihrich, Richard A1 - Bachhuber, Frederik T1 - Untersuchungen zur Bildung von schwarzem Arsen T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - Das Mineralisatorkonzept für Polypniktide, basierend auf PbI2 als Mineralisator, wurde erfolgreich zur Synthese der festen Lösung von ortho-rhombischem, schwarzen As1–xPx eingesetzt (x = 0.17-1). Die Zellparameter von As0.83P0.17 sind identisch mit den Literaturwerten des As(schwarz). Aus Pulver- und Einkristalldaten bei variabler Zusammensetzung ist es möglich, das Zellvolumen und die Gitterparameter von reinem, schwarzen Arsen abzuleiten. Die Analyse der Phasenbildung basiert auf der Bestimmung der Gleichgewichtsdrücke der Intermediate Au2P3 und Asgrau sowie von PbI2 im Vergleich zu As1–xPx(schwarz): Die Kondensation erfolgt unterhalb 600 °C aus einer komplexen Gasphase (u.a. AsnP4–n). KW - Phosphorus KW - Arsenic KW - Crystal structure Y1 - 2010 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201008019/full U6 - https://doi.org/10.1002/zaac.201008019 VL - 636 IS - 11 SP - S. 46 ER - TY - GEN A1 - Schöneich, Michael A1 - Lorenz, Tobias A1 - Bawohl, Melanie A1 - Nilges, Tom A1 - Schmidt, Peer T1 - Phase Formation in the System Hg/P/I Induced by Evaporation Pressure T2 - Zeitschrift für Anorganische und Allgemeine Chemie KW - High-temperature Gas-balance Y1 - 2010 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201009042/full U6 - https://doi.org/10.1002/zaac.201009042 N1 - Poster VL - 636 IS - 11 SP - S. 2070 ER - TY - RPRT A1 - Pinnau, Sebastian A1 - Efimova, Anastasia A1 - Schmidt, Peer T1 - Identifikation technischer Salze als Latentspeichermaterialien im Temperaturbereich von 4 bis 15 °C und deren Verkapselung: Abschlussbericht N2 - Der Einsatz von thermischen Speichern erlaubt eine bessere Lastanpassung von Erzeugeranlagen zur Gebäudeklimatisierung sowie eine Optimierung des Betriebsregimes unter energetischen Gesichtspunkten. Für solche Anwendungsfälle können Latentwärmespeicher zum Einsatz kommen, bei denen üblicherweise der Schmelz- und Erstarrungsvorgang sogenannter Phasenwechselmaterialien (Phase Change Materials, PCM) ausgenutzt wird. Für die Anwendungstemperaturbereiche der Klimatisierung von etwa 4 °C bis 15 °C und für die Kühlung bis etwa 25 °C ist die Auswahl an Reinstoffen mit einer passenden Schmelztemperatur sehr begrenzt. Durch die Bildung von eutektischen Gemischen aus zwei oder mehr Komponenten – die ähnlich wie Reinstoffe einen scharfen Schmelzpunkt aufweisen – kann die Bandbreite an potentiellen PCM’s für diesen Temperaturbereich vergrößert werden. Für die genannten Temperaturbereiche werden vorzugsweise anorganische Salzhydrate als potentielle Speichermedien betrachtet, da diese gegenüber organischen Substanzen häufig größere Schmelzenthalpien und geringere Kosten aufweisen. KW - Latentwärmespeicher KW - PCM Y1 - 2013 UR - https://www.tib.eu/suchen/id/TIBKAT:786966173/ U6 - https://doi.org/10.2314/GBV:786966173 CY - Dresden ER - TY - GEN A1 - Schöneich, Michael A1 - Schmidt, Peer T1 - Kinetics of phase formation in solid - gas reactions: Iron and Arsenic T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - Based on the experience of thermo-chemical studies on a High-Temperature Gas-Balance a time dependent analysis has been developed for the investigations of the kinetics of solid-gas reactions. The course of solid-gas reactions can be examined unambiguously by separation of the initial solids. By this setup the visualization of different stages of solid-gas reaction (vaporization, phase formation) becomes feasible. Time dependent analysis of the formation of FeAs results in an assignment of the underlying principles of kinetics derived from the conversion factor α. KW - Arsenic KW - High-temperature Gas-balance KW - Thermal analysis Y1 - 2012 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201204026/full U6 - https://doi.org/10.1002/zaac.201204026 VL - 638 IS - 10 SP - S. 1579 ER - TY - GEN A1 - Schmidt, Peer A1 - Schöneich, Michael A1 - Nilges, Tom A1 - Weihrich, Richard T1 - Identification of Metastable States in Heterogeneous Phase Formation T2 - Zeitschrift für Anorganische und Allgemeine Chemie KW - Phosphorus KW - High-temperature Gas-balance Y1 - 2012 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201204134/full U6 - https://doi.org/10.1002/zaac.201204134 N1 - Poster VL - 638 IS - 10 SP - S. 1633 ER - TY - RPRT A1 - Schmidt, Peer A1 - Efimova, Anastasia T1 - Kristallisationsverhalten von Phasenwechselmaterialien als Latentwärmespeicher (KristallLaW): Abschlussbericht N2 - Phasenwechselmaterialien (PCM) sind chemische Verbindungen oder deren Mischungen, die bei einer definierten Temperatur schmelzen bzw. erstarren. Der zyklische Einsatz von Wärmespeichern ermöglicht den Ausgleich von Überlasten für den Bedarf oder den „Abfall“ von Wärme sowie die Vergleichmäßigung von Wärmeprofilen. Bestehende anorganische Materialien weisen überwiegend Einschränkungen bezüglich der Anforderungen an eine geringe Hysterese von Aufheizung und Abkühlung auf. Das Maß der Unterkühlung der Schmelze sowie ein zyklenstabiler Wärmeaustausch kann aber durch Zusätze als Kristallisationshilfen (Keimbildner) gesteuert werden. Im vorliegenden Bericht werden die Keimbildung und Kristallisation von Phasenwechselmaterialien unter folgenden Gesichtspunkten diskutiert: Methoden der Thermischen Analyse zur Untersuchung der thermochemischen Eigenschaften von PCM, thermochemische Eigenschaften anorganischer Salze und Salzhydrate als PCM, dominierende Kristallstrukturen und Strukturmotive anorganischer Salze und Salzhydrate als PCM, dominierende Kristallstrukturen und Strukturmotive anorganischer Stoffe als homogener und heterogener Keimbildner, Änderung der thermochemischen Eigenschaften von PCM bei Zusatz von Keimbildnern, geeignete Konzentrationsbereiche von Keimbildnern, Homogenität/Segregation von Phasen. KW - Latentwärmespeicher KW - PCM Y1 - 2017 UR - https://www.tib.eu/suchen/id/TIBKAT:884496287/ U6 - https://doi.org/10.2314/GBV:884496287 PB - BTU Cottbus - Senftenberg, Fachgebiet Anorganische Chemie CY - Senftenberg ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Radius, Udo A1 - Schmidt, Peer T1 - Anorganische Chemie, Band 6: Nebengruppen – Teil 1 N2 - Stellung der Nebengruppenelemente im Periodensystem, Gruppeneigenschaften, Gewinnung der Metalle, die Nebengruppen (Gruppen 3 bis 12) KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Nebengruppenelemente KW - Übergangsmetalle Y1 - 2017 SN - 978-3-662-55904-8 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Radius, Udo A1 - Schmidt, Peer T1 - Anorganische Chemie, Band 7: Nebengruppen – Teil 2 N2 - Koordinationschemie,Konzepte der chemischen Bindung in Komplexverbindungen KW - Anorganische Chemie KW - Nebengruppenelemente KW - Chemische Bindung KW - Komplexverbindungen Y1 - 2017 SN - 978-3-662-55906-2 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Radius, Udo A1 - Schmidt, Peer T1 - Anorganische Chemie, Band 8: Metallorganische Chemie der Übergangsmetalle KW - Anorganische Chemie KW - Nebengruppenelemente KW - Chemische Bindung KW - metallorganische Verbindungen Y1 - 2017 SN - 978-3-662-56030-3 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Radius, Udo A1 - Schmidt, Peer T1 - Anorganische Chemie, Band 9: Festkörperchemie N2 - Beschreibung kristalliner Strukturen, Strukturen anorganischer Festkörper und Methoden zur Synthese und Kristallzüchtung KW - Anorganische Chemie KW - Festkörperchemie KW - Chemische Bindung KW - Crystal growth KW - Crystal structure Y1 - 2018 SN - 978-3-662-47577-5 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - BOOK A1 - Binnewies, Michael A1 - Finze, Maik A1 - Radius, Udo A1 - Schmidt, Peer T1 - Anorganische Chemie, Band 10: Lanthanoide N2 - Vorkommen, Gewinnung und Verbindungen der Lanthanoide – Anwendungen der Lanthanoide und ihrer Verbindungen KW - Anorganische Chemie KW - Periodensystem der Elemente KW - Lanthanoide Y1 - 2018 SN - 978-3-662-47543-0 PB - Springer CY - Heidelberg ET - 1. Auflage ER - TY - GEN A1 - Efimova, Anastasia A1 - Varga, Janos A1 - Matuschek, Georg A1 - Saraji-Bozorgzad, Mohammad R. A1 - Denner, Thomas A1 - Zimmermann, Ralf A1 - Schmidt, Peer T1 - Thermal Resilience of Imidazolium-Based Ionic Liquids—Studies on Short- and Long-Term Thermal Stability and Decomposition Mechanism of 1-Alkyl-3-methylimidazolium Halides by Thermal Analysis and Single-Photon Ionization Time-of-Flight Mass Spectrometry T2 - Journal of Physical Chemistry B N2 - Ionic liquids are often considered as green alternatives of volatile organic solvents. The thermal behavior of the ionic liquids is relevant for a number of emerging large-scale applications at elevated temperature. Knowledge about the degradation products is indispensable for treatment and recycling of the used ionic liquids. The objective of this paper was an investigation of the short- and long-term stability of several 1-alkyl-3-methylimidazolium halides, determination of the degradation products, and the elucidation of their decomposition patterns and structure–stability relations. Short-term stability and mechanism of thermal degradation were investigated by a self-developed, innovative thermal analysis single-photon ionization time-of-flight mass spectrometry device with Skimmer coupling. The applied technology provides real-time monitoring of the forming species and allows tracing their change during the course of the decomposition. Therein, the almost fragment-free soft ionization with vacuum ultraviolet photons plays a crucial role. We have detected unfragmented molecules whose formation was only assumed by electron ionization. Nevertheless, the main decomposition products of the selected ionic liquids were alkyl imidazoles, alkenes, alkyl halides, and hydrogen halides. From the decomposition products, we have deduced the fragmentation patterns and discussed their interrelation with the length of the alkyl chain and the type of the halide anion. Our results did not suggest the evaporation of the investigated ionic liquids prior to their decomposition under atmospheric conditions. Long-term thermal stability and applicability were determined based on thermogravimetric analysis evaluated with a kinetic model. Thus, the time-dependent maximum operation temperature (MOT) for the respective ionic liquids has been calculated. As a rule, the short-term stability overestimates the long-term decomposition temperatures; the calculated MOT are significantly lower (at least 100 K) than the standardly obtained decomposition temperatures. KW - Ionic liquid KW - Thermal analysis KW - Thermal decomposition KW - Maximum operation temperature Y1 - 2018 U6 - https://doi.org/10.1021/acs.jpcb.8b06416 VL - 122 IS - 37 SP - 8738 EP - 8749 ER - TY - CHAP A1 - Nilges, Tom A1 - Schmidt, Peer A1 - Weihrich, Richard ED - Scott, Robert A. T1 - Phosphorus: The Allotropes, Stability, Synthesis, and Selected Applications T2 - Encyclopedia of Inorganic and Bioinorganic Chemistry N2 - Phosphorus, first found in the seventeenth century, played an important role in the definition of the element term by Lavoisier and thus shaped the beginning of the era of modern chemistry. It was discovered for the first time in the most unstable crystalline modification—the white phosphorus. Today, a variety of experimentally proven allotropes are known. The most common allotropes, such as black, violet, and fibrous phosphorus, are described here with respect to their synthesis, crystal structures, thermal, and thermodynamic properties. Besides, more than 50 crystalline allotropes have been predicted, and their stabilities have been estimated using quantum‐chemical methods. This way, phosphorus becomes one of the most structurally variable elements of the periodic table. In this article, some of the most reasonable and sophisticated calculations are presented. The applications of elemental phosphorus are mainly connected with its semiconducting properties. Thus, the development of current applications is strongly related to new synthesis methods for direct preparation of individual, phase pure allotropic forms of phosphorus. The past decade supplied basic results on the formation of black phosphorus and other modifications, primarily using the mineralizer concept. Related to graphene and other two‐dimensional, layered structures, phosphorene is of drastically rising interest. The pertinent modifications are characterized by corrugated arrangement of six‐membered P‐rings, where both the boat conformation and the chair conformation are known. The application of phosphorene is in a jumping evolution. Currently, phosphorene is already in use in manifold ways, including as a sensor, optical device, transistor, energy‐conversion material, and supercapacitor material. KW - Crystal growth KW - Chemical vapor transport KW - Crystal structure KW - Phosphorus KW - High-temperature Gas-balance KW - Thermal analysis KW - DFT Y1 - 2018 UR - https://onlinelibrary.wiley.com/doi/pdf/10.1002/9781119951438.eibc2643 SN - 978-1-119-95143-8 U6 - https://doi.org/10.1002/9781119951438.eibc2643 SP - 1 EP - 19 PB - John Wiley Sons CY - Hoboken, US ET - 2. Auflage ER - TY - GEN A1 - Grönke, Martin A1 - Schmidt, Peer A1 - Valldor, Martin A1 - Oswald, Steffen A1 - Wolf, Daniel A1 - Lubk, Axel A1 - Büchner, Bernd A1 - Hampel, Silke T1 - Chemical vapor growth and delamination of α-RuCl3 nanosheets down to the monolayer limit T2 - Nanoscale N2 - 2D layered honeycomb magnet α-ruthenium(III) chloride (α-RuCl3) is a promising candidate to realize a Kitaev spin model. As alteration of physical properties on the nanoscale is additionally intended, new synthesis approaches to obtain phase pure α-RuCl3 nanocrystals have been audited. Thermodynamic simulations of occurring gas phase equilibria were performed and optimization of synthesis conditions was achieved based on calculation results. Crystal growth succeeded via chemical vapor transport (CVT) in a temperature gradient of 973 K to 773 K on YSZ substrates. Single crystal sheets of high crystallinity with heights ≤ 30 nm were obtained via pure CVT. The crystal properties were characterized by means of optical and electron microscopy, AFM, SAED, micro-Raman and XPS proving their composition, morphology, crystallinity and phase-purity. A highlight of our study is the successful individualization of nanocrystals and the delamination of nanosheets on YSZ substrates down to the monolayer limit (≤ 1 nm) which was realized by means of substrate exfoliation and ultrasonication in a very reproducible way. KW - Crystal growth KW - Thermodynamic modeling KW - Chemical vapor transport KW - 2D layered compounds KW - Nanocrystals Y1 - 2018 UR - https://pubs.rsc.org/en/content/articlelanding/2018/nr/c8nr04667k#!divAbstract U6 - https://doi.org/10.1039/C8NR04667K SN - 2040-3372 VL - 10 IS - 40 SP - 19014 EP - 19022 ER -