PXRD diffractometer D8 Discover (BRUKER)

Diffractometer is equipped with a copper X-ray tube and a 1D position sensitive detector. Besides recording diffraction patterns at ambient conditions, samples can be analysed also at a very wide temperature range (from –190 to 1200°C) or different relative humidity (0−100% in temperature range of 20 − 95°C).

PXRD diffractometer D8 Advance (BRUKER)

Diffractometer is equipped with a copper X-ray tube and a 1D position sensitive detector.

Differential scanning calorimeter DSC25 (TA)

Analysis can be performed in a temperature range of −90 − 725°C in open or closed pans.

Thermogravimeter / Differential scanning calorimeter TG/DSC 2 (METTLER TOLEDO)

Analysis can be performed in a temperature range of 20 − 1600°C.

Dynamic vapour sorption device DVS Advantage (SURFACE MEASUREMENT SYSTEMS)

Analysis can be performed in a temperature range of 5 − 60°C and relative humidity of 0−98%. Usage of other solvents than water is possible.

Solid form screening device Crystal16 (TECHNOBIS CRYSTALLIZATION SYSTEMS)

Fourier transform infrared spectroscopy (FTIR) device

Solid samples can be either analysed using KBr discs or ATR sample stage with diamond crystal.

Computational resources and software

High-performance computational resources are available to be used for quantum chemical calculations. Mostly periodic and non-periodic DFT methods are used exploiting following software: Gaussian09, QuantumESPRESSO, CrystalExplorer and possibly others. Full access to the Cambridge Structural Database is available using Mercury and related CCDC licensed software (including Python API).