Postdesorption Fragmentation of Tetradecane in Atom-Probe Tomography Simulated by DFT
C. A. Dietrich, T. M. Schwarz, K. Meng, P. Stender, G. Schmitz and J. Kästner J. Phys. Chem. A 2025, 129, 17, 3963–3968.
Project C03
Understanding atom probe tomography
Understanding atom probe tomography of molecular materials
The project extends atom-probe tomography (APT) to analysis of frozen liquids, soft matter, and porous molecular materials and to exploit this analysis method of for the CRC. Our previous results show that the obtained mass spectra are overly complex and field evaporation of hybrid materials is heterogeneous. We will develop innovative pump-probe pulse concepts to control post-desorption fragmentation and homogenize the evaporation rates. Fragmentation patterns, combined with simulations based on density functional theory, help to interpret the mass spectra. Our long-term goal is to extend the range of materials applicable to APT towards further organic solvents and ionic liquids in silica pores as addressed in the CRC.
Research focus in the 1st funding period (2018-2022):
High resolution tomography of mesoscopic pore structures
Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy
A.-K. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa and J. R. Bruckner Microporous Mesoporous Mater. 2023, 354, 112508. The publication can be downloaded free of charge and without registration until May 11, 2023 via the following link: https://authors.elsevier.com/a/1gnb54xQ964rdP
Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2
E. J. Wimmer, S. V. Klostermann, M. Ringenberg, J. Kästner and D. P. Estes Eur. J. Inorg. Chem. 2023, e202200709.
Imaging the Permeability and Passivation Susceptibility of SiO2 Nanosphere-Based Mesoporous Supports for Molecular Heterogeneous Catalysis under Confinement
S. R. Kousik, F. Ziegler, D. Sipp, A. RodrÃguez-Camargo, H. Solodenko, W. Gassner, G. Schmitz, B. V. Lotsch, M. R. Buchmeiser, K. Koynov and P. Atanasova ACS Appl. Nano Mater. 2022, 5, 10, 14733–14745.
Frozen n-Tetradecane Investigated by Cryo-Atom Probe Tomography
K. Meng, T. Schwarz, E. Weikum, P. Stender and Guido Schmitz J. Microsc. Microanal. 2022, 1-11.
Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields
N. Segreto, T. M. Schwarz, C. A. Dietrich, P. Stender, R. Schuldt, G. Schmitz, and J. Kästner J. Phys. Chem. A 2022, 126, 33, 5663–5671.
Status and Direction of Atom Probe Analysis of Frozen Liquids
- REVIEW/PERSPECTIVE - P. Stender, B. Gault, T. M. Schwarz, E. V. Woods, S.-H. Kim, J. Ott, L. T. Stephenson, G. Schmitz, Ch. Freysoldt, J. Kästner and A. A. El-Zoka Microsc. Microanal. 2022, 28, 4 , 1150 - 1167.
Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes
F. Ziegler, H. Kraus, M. J. Benedikter, D. Wang, J. R. Bruckner, M. Nowakowski, K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen and M. R. Buchmeiser ACS Catal. 2021, 11, 11570-11578.
3D Sub-Nanometer Analysis of Glucose in an Aqueous Solution by Cryo-Atom Probe Tomography
T. M. Schwarz, C. Dietrich, J. Ott, E. M. Weikum, R. Lawitzki, H. Solodenko, E. Hadjixenophontos, B. Gault, J. Kästner, G. Schmitz and P. Stender Sci. Rep. 2021, 11, 11607.
Field evaporation and atom probe tomography of pure water tips
T. M. Schwarz, E. M. Weikum, K. Meng, E. Hadjixenophontos, C. A. Dietrich, J. Kästner, P. Stender and G. Schmitz Sci. Rep. 2020, 10, 20271.
Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT
C. A. Dietrich, R. Schuldt, D. Born, H. Solodenko, G. Schmitz and J. Kästner J. Phys. Chem. A 2020, 124, 8633–8642.
Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions
M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner and S. Laschat Organometallics 2020, 39, 3131–3145.
Extracting the shape of nanometric field emitters
D. Beinke, F. Bürger, H. Solodenko, R. Acharya, H. Klauk and G. Schmitz Nanoscale 2020, 12, 2820–2832.