Research Highlights

Scientific Report 2021-2024

Three-dimensional lattice structure featuring interconnected blue and yellow cubes, with green spheres positioned at each intersection, illustrating a geometric pattern.

High-Pressure High-Temperature Synthesis of Intermetallic Compounds

U. Schwarz*, L. Akselrud, M. Baitinger, U. Burkhardt, W. Carrillo-Cabrera, W. Clark, J. Hübner, P. Kozelj, M. Krnel, K. Meier-Kirchner, T. Neziraj, Y. Prots, S. Rößler, W. Schnelle, K. Ueltzen, S. Wirth and Y. Grin 
  more
A three-dimensional geometric model composed of interconnected green, red, and blue polygons, set within a cubic frame.

Heavyweight Meets Flyweight: An Experimental Platform

A. Leithe-Jasper, L. Agnarelli, A. Amon, M. Krnel, E. Svanidze, A. Ormeci, Y. Prots, M. Schmidt, U. Burkhardt, R. Ramlau, P. Simon, H. Borrmann and Y. Grin more
Visualization of a complex molecular structure, including blue polyhedral shapes and red spheres connected by thin lines, with a central gold sphere.

The Multifaceted Nature of Gallides

M. Baitinger, L. Akselrud, B. Böhme, U. Burkhardt, X.-J. Feng, P. Koželj, M. Krnel,
A. Ormeci, Y. Prots, M. Schmidt, I. Veremchuk, F. R. Wagner, C.-C. Yu and Y. Grin more
Triangle diagram illustrating the relationship between chemical bonding and physical interactions, focusing on structure, composition, and properties. It integrates electron sharing and energetics based on 1- and 2-RDM.

Chemical Bonding in Intermetallic Phases

F. R. Wagner, A. Ormeci, R. Freccero, C. Bergner, D. Kasinathan and Y. Grin more
Atomic structure diagram featuring cobalt and silicon, handprints indicating chirality, and microscopy image of atomic arrangement.

Atomic-Resolution TEM Revealing Structural Complexity of Intermetallic Compounds

P. Simon, W. Carrillo-Cabrera, Y. Grin and R. Ramlau more
Polygonal shape displaying chirality, molecular structures, and microscopy images against a patterned backdrop with scale indicator.

How to Get High Quality, Single Crystalline Material with Well-Defined Crystallographic Orientation and Handedness

U. Burkhardt , M. Schmidt, M. König and Y. Grin more
A 3D representation of a molecular structure with color-coded atoms and electron density values. The diagram includes axes indicating orientation and labels for Ba, Li, Ga, and N atoms, each with specific numerical values.

Synthesis, Crystal Structure Determination and Property Investigation of Intermetallic Phases as a Concerted Complex Process

Y. Prots, U. Burkhardt, W. Carrillo-Cabrera, P. Höhn, M. Kotsch, M. Peter Schmidt
and Y. Grin more
Diagram of cubic crystal lattice illustrating iron atoms (blue) and gallium atoms (light/dark green), with directional axes labeled [001], [010], [100].

Bonding Patterns and Properties in Thermoelectric Materials

R. Cardoso-Gil, M. Baitinger, M. Krnel, F. R. Wagner and Y. Grin more
Schematic diagram of intermetallic compounds, showing chemical properties, intrinsic properties like electronic structure, and catalytic properties such as activity and stability.

Catalysis with Intermetallic Compounds through the Prism of their Chemical Properties

I. Antonyshyn, A. Ormeci, O. Sichevych, A. M. Barrios Jiménez, H. Borrmann, S. G. Altendorf, U. Burkhardt, M. Schmidt and Y. Grin more
Structural diagram illustrating a crystal lattice, including atoms labeled Sm, Si, and B, with arrows indicating directions.

Magnetic Properties of High-Pressure Phases RESi3

U. Schwarz, T. Neziraj, A. Ormeci, L. Akselrud, U. Burkhardt, Y. Grin and S. Wirth more
X-ray photoelectron spectroscopy (XPS) spectra comparing Al₂Pt, Ga₂Pt, In₂Pt, and Sn₂Pt compounds, indicating binding energy peaks for Pt and PtO₂.

Spectroscopic View onto the Catalyst’s States

I. Antonyshyn, S. G. Altendorf, A. Ormeci, K. Höfer, D. Takegami, A. Meléndez-Sans, D. Kasinathan, Y. Grin and L. H. Tjeng more

Scientific Report 2018-2021

Electrochemical graph of Hf2B2Ir5 displaying the relationship between current density and potential. Inset shows dissolved Hf, Ir, and B concentrations over time, with a noted 70 mV change.

Intermetallic compounds for electrocatalysis

I. Antonyshyn, A. M. Barrios Jiménez, U. Burkhardt, A. Ormeci, O. Sichevych, S. G. Altendorf, Y. Grin  more
Two identical molecular structures with green and orange spheres, displayed on mirrored surfaces.

Left- or right-handed: Enantiomorph distribution maps for metals and intermetallic compounds
 

U. Burkhardt, M. Schmidt, M. König, H. Borrmann, Y. Grin
  more
Si20 cage in Sr8Si46 combined with the pELI‐D distribution

Progress in understanding of cage compounds

L. Akselrud, M. Baitinger, B. Böhme, M. Bobnar, H. Borrmann, U. Burkhardt,
W. Carrillo-Cabrera, X.-J. Feng, R. Gumeniuk, J.-M. Hübner, W. Jung, P. Koželj, A. Leithe-Jasper, Y. Prots, A. Ormeci, U. Schwarz, O. Sichevych, P. Simon, E. Svanidze, Y. Grin more
Crystal structure of SrGe6-x

High-pressure chemistry of germanium

U. Schwarz, L. Akselrud, M. Bobnar, U. Burkhardt, R. Castillo, R. Cardoso-Gil, W.
Carrillo-Cabrera, J.-M. Hübner, P. Koželj, Y. Prots more
Gallium arrangements in MGan phases in de- pendence on the number of valence electrons per gal- lium atom VECGa and the electronegativity difference between the components ΔEN

From Zintl to Wade: diversity of [Gan] clusters in ternary intermetallic compounds

Y. Prots, M. Kotsch, A. Ormeci, M. Bobnar, F. R. Wagner, M. Kohout, Y. Grin more
Atomic interactions in Y4Be33Pt16 obtained by electron localizability approach

Emerging complexity in new Beryllium and Magnesium compounds

A. Leithe-Jasper, A. Amon, L. Agnarelli, Y. Prots, E. Svanidze, Y. Grin more
Reproducibility of the thermoelectric properties of Ba8AuxGe46–x

Thermoelectric materials: phase relationships and properties

R. Cardoso-Gil, M. Bobnar, M. Boström, B. Boucher, W. Carrillo-Cabrera, F. Kaiser,
P. Simon, I. Veremchuk, F. R. Wagner, X. Wang, I. Zelenina, Y. Grin more
“Excess” electrons in LuGe forming a cluster via 4-atomic Lu4 bonds

Chemical Bonding in Intermetallic Compounds: Concepts and Tools

F. R. Wagner, M. Kohout, R. Freccero, D. Menendez-Crespo, C. Bergner more
ELI distribution in the hexagonal unit cell of Sr6[Ge2N6]

New developments in N-containing phases: nitrides, cyanides, and more

P. Höhn, M. Bobnar, N. Glorizova, F. Jach, P. Koželj, A. Ormeci, A. Ovchinnikov, M. Pathak, Y. Prots, F. R. Wagner more
NbP crystal

Crystal Growth by Chemical Vapor Transport

M. Schmidt more
Crystal structure of o-Al13Co4 (a) ordered and (b) disordered models

Structural complexity of intermetallic compounds by TEM

P. Simon, I. Zelenina, W. Carrillo-Cabrera, R. Ramlau, Y. Grin more
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