@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} } @misc{PielnhoferBachhuberSchmidtetal., author = {Pielnhofer, Florian and Bachhuber, Frederik and Schmidt, Peer and Nilges, Tom and Weihrich, Richard}, title = {Mit DFT-Modellierungen zu neuen Polyanionenverbindungen}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {638}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {10}, doi = {10.1002/zaac.201204137}, pages = {S. 1634}, abstract = {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 Verst{\"a}ndnis von Struktur-Eigenschafts-Beziehungen, metastabilen Strukturen und Umwandlungen. Dies bedarf des Einsatzes kombinierter experimenteller und theoretischer Methoden. Zur systematischen Erforschung metastabiler Strukturen wurde j{\"u}ngst das Konzept der Strukturvorhersage in Energielandschaften mit ab initio Methoden auf das System P1-xAsx angewandt und mit experimentellen Messungen verkn{\"u}pft. Im n{\"a}chsten Schritt wurden Verbindungen mit ionischen Teilstrukturen des As, Sb, Se und Te untersucht. Modellhaft wurden nun Zintl-Systemen wie IrPTe und PtSnTe neue m{\"o}gliche metastabile Strukturen identifiziert und auf Funktionalisierungen untersucht.}, language = {de} } @misc{NilgesOstersSchmidtetal., author = {Nilges, Tom and Osters, Oliver and Schmidt, Peer and Sch{\"o}neich, Michael and Weihrich, Richard and Bachhuber, Frederik}, title = {Untersuchungen zur Bildung von schwarzem Arsen}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {636}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {11}, doi = {10.1002/zaac.201008019}, pages = {S. 46}, abstract = {Das Mineralisatorkonzept f{\"u}r Polypniktide, basierend auf PbI2 als Mineralisator, wurde erfolgreich zur Synthese der festen L{\"o}sung 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 m{\"o}glich, das Zellvolumen und die Gitterparameter von reinem, schwarzen Arsen abzuleiten. Die Analyse der Phasenbildung basiert auf der Bestimmung der Gleichgewichtsdr{\"u}cke 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).}, language = {de} } @misc{SchoeneichLorenzBawohletal., author = {Sch{\"o}neich, Michael and Lorenz, Tobias and Bawohl, Melanie and Nilges, Tom and Schmidt, Peer}, title = {Phase Formation in the System Hg/P/I Induced by Evaporation Pressure}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {636}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {11}, doi = {10.1002/zaac.201009042}, pages = {S. 2070}, language = {en} } @misc{SchmidtSchoeneichNilgesetal., author = {Schmidt, Peer and Sch{\"o}neich, Michael and Nilges, Tom and Weihrich, Richard}, title = {Identification of Metastable States in Heterogeneous Phase Formation}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {638}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {10}, doi = {10.1002/zaac.201204134}, pages = {S. 1633}, language = {en} } @incollection{NilgesSchmidtWeihrich, author = {Nilges, Tom and Schmidt, Peer and Weihrich, Richard}, title = {Phosphorus: The Allotropes, Stability, Synthesis, and Selected Applications}, series = {Encyclopedia of Inorganic and Bioinorganic Chemistry}, booktitle = {Encyclopedia of Inorganic and Bioinorganic Chemistry}, editor = {Scott, Robert A.}, edition = {2. Auflage}, publisher = {John Wiley Sons}, address = {Hoboken, US}, isbn = {978-1-119-95143-8}, doi = {10.1002/9781119951438.eibc2643}, pages = {1 -- 19}, abstract = {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.}, language = {en} }