Publications related to Synthesis, crystal growth and physical properties of the frustrated spin ladder material BiCu2PO6

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Berend Smit, Peter George Boyd, Senja Dominique Barthel, Matthew David Witman

Scientific interest in two-dimensional (2D) materials, ranging from graphene and other single layer materials to atomically thin crystals, is quickly increasing for a large variety of technological applications. While in silico design approaches have made ...

2018

Influence of Functionalized η6 -Arene Rings on Ruthenium(II) Curcuminoids Complexes

Paul Joseph Dyson, Rosario Scopelliti, Laure Debora Pittet, Tina Riedel, Agnese Petrini

A series of organometallic Ru(II) complexes containing functionalized η6‐arene ligands, together with curcumin and bisdemethoxycurcumin as O,O’‐chelating ligands and their RAPTA (ruthenium arene complexes bearing the 1,3,5‐triaza‐7‐phosphaadamantane ligand ...

2018

Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Michele Ceriotti, Sandip De

Predictive computational methods have the potential to significantly accelerate the discovery of new materials with targeted properties by guiding the choice of candidate materials for synthesis. Recently, a planar pyrrole-based azaphenacene molecule (pyri ...

2018

Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR

David Lyndon Emsley, Arthur César Pinon, Jasmine Viger-Gravel

The structure of crystalline nanoparticles (CNPs) is determined using dynamic nuclear polarization (DNP) enhanced NMR spectroscopy experiments. The CNPs are composed of a crystalline core containing an active pharmaceutical ingredient (compound P), coated ...

AMER CHEMICAL SOC2018

Characterization of crystallographically etched single crystal diamond diffraction gratings

Olivier Martin, Niels Quack, Toralf Scharf

We report on the fabrication and experimental characterization of single crystal diamond diffraction gratings fabricated with crystallographic dry etching. High aspect ratio atomic force microscopy reveals a characteristic V-groove profile exhibiting smoot ...

IEEE2018

Tuning adatom mobility and nanoscale segregation by twin formation and polytypism

Anna Fontcuberta i Morral, Federico Matteini, Gözde Tütüncüoglu, Luca Francaviglia

Nanoscale variations in the composition of an AlxGa1−xAs shell around a GaAs nanowire affect the nanowire functionality and can lead to the formation of localized quantum emitters. These composition fluctuations can be the consequence of variations of crys ...

2018

Connecting the Simpler Structures to Topologically Close-Packed Phases

Anirudh Raju Natarajan

Pathways connecting dissimilar crystal structures are fundamental to our understanding of structural phase transitions. In this Letter, we report on a new pathway connecting the hexagonal close-packed crystal structure to a hierarchy of topologically close ...

APS2018

High-Temperature Ferrimagnetism with Large Coercivity and Exchange Bias in the Partially Ordered 3d/5d Hexagonal Perovskite Ba2Fe1.12Os0.88O6

Philip Pattison

Double perovskite oxides A(2)BB'O-6 combining 3d and 4d or 5d transition metal ions at the B and B' sites feature a variety of magnetic and magneto-electric properties. Targeting Ba2FeOsO6, we synthesized powder samples of nonstoichiometric Ba2Fe1.12Os0.88 ...

American Chemical Society2017

J1−J2 square-lattice Heisenberg antiferromagnets with 4d1 spins: AMoOPO4Cl (A=K,Rb)

Henrik Moodysson Rønnow, Peter Babkevich

Magnetic properties of AMoOPO4Cl (A=K,Rb) with Mo5+ ions in the 4d1 electronic configuration are investigated by magnetization, heat capacity, and nuclear magnetic resonance (NMR) measurements on single crystals, combined with powder neutron diffraction ex ...

2017

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds

Lin Yang

In this thesis I study the synthesis and basic physical properties characterization on 3

d

, 4

d

and 5

d

transition metal compounds. Great success has been obtained in 3

d

transition metal compounds, in which the electric states are well localized due t ...

EPFL2017

Synthesis, crystal growth and physical properties of the frustrated spin ladder material BiCu2PO6

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Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Influence of Functionalized η6 -Arene Rings on Ruthenium(II) Curcuminoids Complexes

Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR

Characterization of crystallographically etched single crystal diamond diffraction gratings

Tuning adatom mobility and nanoscale segregation by twin formation and polytypism

Connecting the Simpler Structures to Topologically Close-Packed Phases

High-Temperature Ferrimagnetism with Large Coercivity and Exchange Bias in the Partially Ordered 3d/5d Hexagonal Perovskite Ba2Fe1.12Os0.88O6

J1−J2 square-lattice Heisenberg antiferromagnets with 4d1 spins: AMoOPO4Cl (A=K,Rb)

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds

Influence of Functionalized η6 -Arene Rings on Ruthenium(II) Curcuminoids Complexes

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Connecting the Simpler Structures to Topologically Close-Packed Phases

High-Temperature Ferrimagnetism with Large Coercivity and Exchange Bias in the Partially Ordered 3d/5d Hexagonal Perovskite Ba2Fe1.12Os0.88O6

Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR

Tuning adatom mobility and nanoscale segregation by twin formation and polytypism

Characterization of crystallographically etched single crystal diamond diffraction gratings

J1−J2 square-lattice Heisenberg antiferromagnets with 4d1 spins: AMoOPO4Cl (A=K,Rb)

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds