A5043040838- Advanced Chemical Physics Studies
- X-ray Spectroscopy and Fluorescence Analysis
- Advanced Electron Microscopy Techniques and Applications
- nanoparticles nucleation surface interactions
- ZnO doping and properties
- Quantum and electron transport phenomena
- Magnetism in coordination complexes
- Particle Detector Development and Performance
- Advanced X-ray Imaging Techniques
- Enzyme Structure and Function
- Metal complexes synthesis and properties
- X-ray Diffraction in Crystallography
- Quantum Computing Algorithms and Architecture
- Copper-based nanomaterials and applications
- Electron and X-Ray Spectroscopy Techniques
- Metal and Thin Film Mechanics
- Photosynthetic Processes and Mechanisms
- Lanthanide and Transition Metal Complexes
- Boron and Carbon Nanomaterials Research
- Scientific Computing and Data Management
- GaN-based semiconductor devices and materials
- Nanoparticle-Based Drug Delivery
- Quantum Information and Cryptography
- Inorganic Fluorides and Related Compounds
- Nanocluster Synthesis and Applications
Center for Free-Electron Laser Science
2015-2024
Universität Hamburg
2015-2024
Deutsches Elektronen-Synchrotron DESY
2021-2024
Bruker (China)
2023
Southern Federal University
2007-2016
X-ray crystallography is one of the main methods to determine atomic-resolution 3D images whole spectrum molecules ranging from small inorganic clusters large protein complexes consisting hundred-thousands atoms that constitute macromolecular machinery life. Life not static, and unravelling structure dynamics most important reactions in chemistry biology essential uncover their mechanism. Many these reactions, including photosynthesis which drives our biosphere, are light induced occur on...
Abstract The world’s first superconducting megahertz repetition rate hard X-ray free-electron laser (XFEL), the European XFEL, began operation in 2017, featuring a unique pulse train structure with 886 ns between pulses. With its rapid rate, XFEL may alleviate some of increasing demand for beamtime, particularly membrane protein serial femtosecond crystallography (SFX), leveraging orders-of-magnitude faster data collection. Here, we report SFX experiment, where determined 2.9 Å-resolution...
Serial femtosecond crystallography (SFX) is a powerful technique that exploits X-ray free-electron lasers to determine the structure of macromolecules at room temperature. Despite impressive exposition structural details with this novel crystallographic approach, methods currently available introduce crystals into path beam sometimes exhibit serious drawbacks. Samples requiring liquid injection crystal slurries consume large quantities (at times up gram protein per data set), may not be...
Small copper clusters embedded in argon shells were obtained using the pick-up technique. The analyzed X-ray absorption near-edge spectroscopy (XANES) measured at Cu L23-edge. Theoretical interpretation of experimental spectra has been performed full-potential finite difference method simulations and density functional theory (DFT) to optimize geometry clusters. As a result, it was found that icosahedral Cu13 nanocluster with optimized by DFT produces theoretical L23-XANES similar one,...
X-ray free electron lasers (XFELs) provide ultrashort intense pulses suitable to probe dynamics but can also induce a multitude of nonlinear excitation processes. These affect spectroscopic measurements and interpretation, particularly for upcoming brighter XFELs. Here we identify discuss the limits observing classical spectroscopy, where only one photon is absorbed per atom Mn2+ in light element (O, C, H) environment. emission spectroscopy (XES) with different incident energies, pulse...
The combination of X-ray spectroscopy methods complemented with theoretical analysis unravels the coexistence paramagnetic and antiferromagnetic phases in Zn0.9Mn0.1O shell deposited onto array wurtzite ZnO nanowires. is crystalline orientation toward growth axis, as demonstrated by linear dichroism. EXAFS confirmed that more than 90% Mn atoms substituted Zn while a fraction secondary was below 10%. value manganese spin magnetic moment estimated from Kβ emission to be 4.3 μB which close for...
Investigation on local atomic structure of ZnO:Mn nanorods, thin films and nanoscale core/shell structures ZnO nanorods/ZnO:Mn film (10% Mn concentration) has been performed. The are synthesized with high pressure pulsed-laser deposition (PLD) method. Synthesis growth the studied have considered in detail for determination embeddings impurities host lattice. Theoretical analysis experimental data carried out using a self-consistent real space multiple scattering method (FEFF8.4 code) finite...
In this article we offer the model of quantum solid-state N-spin qubit based on studying spin structure simulation 3d-metal Ni clusters silicon surface. The comparison energy pattern with anisotropic exchange models conventionally used for analysis system and, results X-ray absorption spectroscopy (XAS) study, shows that our complex investigations provide a good description levels and structures nanomagnetic NR qubit. are discussed in view general problem qubits cluster.
AlN ferromagnetic nanorods with 5 at.% of copper were studied by using x-ray absorption spectroscopy (XAFS) above the Cu K- and L3- edges. Theoretical simulations XAFS spectra clearly identify a formation small clusters inside lattice. Average size was estimated to be 50–70 atoms from analysis both XANES (X-ray Absorption Near Edge Spectroscopy) EXAFS (Extended X-ray Fine Structure) regions spectra. Calculations magnetic moments for different types point defects in lattice made.
We report the research results of polynuclear complexes consisting 3d-4f mixed-metal cores that are maintained by acetate ligands and multidentate Schiff base with structurally exposed thioether groups. The presence latter at periphery these neutral compounds enables their anchoring onto substrate surfaces. Specifically, we investigated electronic magnetic properties as well structural arrangement in {MnII3MnIVLnIII3} Ln = Dy, Yb coordination using various complementary methods. studied...
We report the research results of polynuclear complexes consisting 3d-4f mixed-metal cores that are maintained by acetate ligands and multidentate Schiff base with structurally exposed thioether groups. The presence latter at periphery these neutral compounds enables their anchoring onto substrate surfaces. Specifically, we investigated electronic magnetic properties as well structural arrangement in {MnII3MnIVLnIII3} Ln = Dy, Yb coordination using various complementary methods. studied...
The local 3D structures of electrochemically deposited Cu nanoclusters on p-GaAs(100) with various coverages have been investigated by in-situ surface-sensitive x-ray absorption fine structure (XAFS) analysis. experimental K-edge XANES GaAs surface analyzed the basis full potential calculations in combination DFT geometry optimization. It has shown that small partially oxidized are formed when coverage overlayer is less than 0.25 monolayer. At higher microclusters a fcc and almost not oxidized.
A novel approach to the remote-control system for compact multi-crystal energy-dispersive spectrometer X-ray emission spectroscopy (XES) applications has been developed. This new is based on asynchronous communication between software components and reactive design principles. In this paper, challenges faced, their solutions, as well implementation future development prospects are identified. The main motivation of work was a holistic protocol that can be implemented control various hardware...
The present work is devoted to the local atomic and electronic structure of dimetacyano (DMC) molecules deposited on a Bi (111) substrate before after irradiation by X-rays UV light using density functional theory (DFT) theoretical analysis X-ray absorption near edge (XANES) spectroscopy. As result calculations low-energy for DMC azobenzene was obtained.
An amendment to this paper has been published and can be accessed via a link at the top of paper.
A novel approach to the remote-control system for compact multi-crystal energy-dispersive spectrometer x-ray emission spectroscopy (XES) applications has been developed. This new is based on asynchronous communication between software components and reactive design principles. In this paper, we identify challenges have faced, our solution them as well implementation future development prospects. The main motivation of work was a holistic protocol that can be implemented control various...