Concept

Polymorphism (materials science)

Related publications (182)

Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol

Michele Ceriotti, Mariana Rossi Carvalho, Piero Gasparotto

Molecular crystals often exist in multiple competing polymorphs, showing significantly different physicochemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful form, a real chal ...

2016

Local lattice distortions vs. structural phase transition in NdFeAsO1-xFx

Janusz Andrzej Karpinski, Sergiy Katrych

The lattice properties at low temperatures of two samples of NdFeAsO1-xFx (x = 0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with respect to the n ...

Elsevier2016

Following dislocation patterning during fatigue

Helena Van Swygenhoven, Steven Van Petegem, Nicolò Grilli, Ainara Irastorza Landa

Precursors of failure are dislocation mechanisms at the nanoscale and dislocation organization at the mesoscale responsible for long-range internal stresses and lattice rotation. Detailed information on the link between both scales is missing, computationa ...

Elsevier2016

KEu(MoO4)(2): Polymorphism, Structures, and Luminescent Properties

Alla Arakcheeva, Philip Pattison

In this paper, with the example of two different polymorphs of KEu(MoO4)(2), the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A',A '') (B',B '')O-4 is investigated. The polymorphs were synthe ...

American Chemical Society2015

Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

Andras Kis, Zhe Sun

We present the science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems, targeting an evolution in technology, that might lead to impacts and benefits reaching into most areas of society. This roadmap was developed ...

Royal Society of Chemistry2015

The Role of Transport Agents in MoS2 Single Crystals

László Forró, Arnaud Magrez, Arnaud Walter, Helmuth Berger, Bálint Náfrádi, Andrea Pisoni, Jacim Jacimovic

We report resistivity, thermoelectric power, and thermal conductivity of MoS2 single crystals prepared by the chemical vapor transport (CVT) method using I-2, Br-2, and TeCl4 as transport agents. The material presents low-lying donor and acceptor levels, w ...

Amer Chemical Soc2015

Crystal Structure, Transport, and Magnetic Properties of an Ir6+ Compound Ba8Al2IrO14

László Forró, Henrik Moodysson Rønnow, Arnaud Magrez, Alla Arakcheeva, Lin Yang, Ana Akrap, Krunoslav Prsa, Andrea Pisoni, Sergiy Katrych, Bastien Dalla Piazza, Jacim Jacimovic

The novel iridate Ba8Al2IrO14 was prepared as single crystals by self-flux method, thereby providing a rare example of an all-Ir(VI) compound that can be synthesized under ambient pressure conditions. The preparation of all-Ir6+ iridate without using tradi ...

2015

GRAIN BOUNDARY RELAXATION IN Bi-CRYSTALS: MECHANICAL SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATIONS

Daniele Mari, Robert Schaller, Iva Tkalcec Vâju

Different Au-Ag-Cu samples have been studied by mechanical spectroscopy. Both polycrystals and bi-crystals show a relaxation peak at 800 K, accompanied by an elastic modulus change. Since this peak is absent in single crystals it is related to the presence ...

Polska Akad Nauk, Polish Acad Sciences, Inst Metall & Mater Sci Pas2015

Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR

David Lyndon Emsley, Aaron James Rossini, Arthur César Pinon, David Benjamin Roger Antoine Gajan

We show how dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy can be used to characterize polymorphs and solvates of organic solids. We applied DNP to three polymorphs and one hydrated form of the asthma drug molecule theophylline. F ...

American Chemical Society2015

Total Syntheses of (−)-Mersicarpine, (−)-Scholarisine G, (+)-Melodinine E, (−)-Leuconoxine, (−)-Leuconolam, (−)-Leuconodine A, (+)-Leuconodine F, and (−)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C

Qian Wang, Jieping Zhu, Zhengren Xu

Enantioselective total syntheses of title natural products from a common cyclohexenone derivative (S)-18 were reported. Ozonolysis of (S)-18 afforded a stable diketo ester (R)-17 that was subsequently converted to two skeletally different natural products, ...

Amer Chemical Soc2015

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