Ingenieurwissenschaften und zugeordnete Tätigkeiten
Filtern
Dokumenttyp
- Posterpräsentation (200) (entfernen)
Referierte Publikation
- nein (200) (entfernen)
Schlagworte
- Mechanochemistry (19)
- Nanoparticles (15)
- Catalysis (8)
- Boehmite (7)
- Amorphous phases (6)
- Heterogeneous catalysis (6)
- MOFs (6)
- Phosphates (6)
- SAXS (6)
- Automation (5)
- Biofilm (5)
- C-F bond activation (5)
- Corrosion (5)
- DFT (5)
- DNA (5)
- Dielectric spectroscopy (5)
- Dosimetry (5)
- Geant4 (5)
- In situ (5)
- LEE (5)
- Laser-induced periodic surface structures (LIPSS) (5)
- Methanogens (5)
- Microdosimetry (5)
- Microplastic (5)
- Microplastics (5)
- Struvite (5)
- Transition metal (5)
- AuNP (4)
- DNA damage (4)
- Electron microscopy (4)
- Energy deposit (4)
- Flexible crystals (4)
- Geant4-DNA (4)
- MCS (4)
- Monte-Carlo simulation (4)
- Nanocomposites (4)
- Nanoplastic (4)
- Polymorphism (4)
- Radiation damage (4)
- Radiationtherapy (4)
- Radioactive decay (4)
- Synthesis (4)
- Thin films (4)
- ToF-SIMS (4)
- XPS (4)
- AFM (3)
- Ab-initio (3)
- Bending modulus (3)
- Beta decay (3)
- Bonding analysis (3)
- Brachytherapy (3)
- Cancer treatment (3)
- Carbon nanotubes (3)
- Clustered nanoparticles (3)
- Cocrystal (3)
- Computational Chemistry (3)
- Conductivity (3)
- Crystallization (3)
- Environmental Simulation (3)
- Epoxy (3)
- Gold Nanoparticles (3)
- Hydrogen (3)
- Livermore model (3)
- Low energy electrons (3)
- MIC (3)
- Materials Informatics (3)
- Mesoporosity (3)
- Metal phosphonates (3)
- Micropatterning (3)
- NP (3)
- NTE (3)
- Nanocomposite (3)
- Nanofibers (3)
- OER (3)
- OH radical (3)
- Oxygen Reduction Reaction (3)
- PGM-free catalyst (3)
- PXRD (3)
- Penelope model (3)
- Polydopamine (3)
- Polymer 3R (3)
- Polymer blends (3)
- Polymorph (3)
- Polypropylene (3)
- Radiation therapy (3)
- Radiolysis (3)
- Reactive extrusion (3)
- Rigidity (3)
- Silver nanoparticles (3)
- Simulation (3)
- Sol-gel (3)
- Solid-state (3)
- Specific heat spectroscopy (3)
- TDEP (3)
- TOPAS (3)
- TOPAS-nbio (3)
- Thermography (3)
- Thin polymeric films (3)
- TiO2 (3)
- Two-photon polymerisation (3)
- VSSA (3)
- Waveguide (3)
- ZCF (3)
- ZrF4 (3)
- particle scattering (3)
- Absorption edge tomography (2)
- Adsorbed Layer (2)
- Aktivkohle (2)
- Archaea (2)
- Bacterial adhesion (2)
- CCMat (2)
- Catalysts (2)
- Chemically Complex Materials (2)
- Corrosion inhibition (2)
- Cycloalyphatic epoxy oligosiloxane (2)
- Database (2)
- Degradation (2)
- Deuterium (2)
- Electrocatalysis (2)
- Elemental composition (2)
- Ellipsometry (2)
- Exchange interaction (2)
- FeNi-Oxide NPs (2)
- Ferromagnetism (2)
- Graphene (2)
- Green chemistry (2)
- Grüneisen parameter (2)
- Interatomic potentials (2)
- Ionic Liquid crystals (2)
- Iron oxide nanoparticles (2)
- LLG (2)
- Landau Lifshitz equation (2)
- MOF (2)
- Machine learning (2)
- Magnesium alloy (2)
- Magnetic moment (2)
- Magnetic nanoparticles (2)
- Micromagnetism (2)
- Nanoconfinement (2)
- Nanoparticle (2)
- Non-classical crystallization (2)
- OOMMF (2)
- Oberflächenenergie (2)
- Object oriented micromagnetic framework (2)
- Phonons (2)
- Photocatalysis (2)
- Polycarbonate (2)
- Polyethylene (2)
- Polymer bilayer coatings (2)
- Protein (2)
- Proteins (2)
- QHA (2)
- Radiotherapy (2)
- Reference material (2)
- Resonance frequency (2)
- SEM/EDS (2)
- SIMS (2)
- SnO2 (2)
- Spectroscopic ellipsometry (2)
- Stochastic Landau Lifshitz Gilbert equation (2)
- Surface functionalization (2)
- TED-GC/MS (2)
- Thermoelectric materials (2)
- Thermogravimetrie (2)
- Thin Films (2)
- Transition metals (2)
- Ultrashort laser processing (2)
- Zeolitic imidazolate framework (2)
- beta particle (2)
- 3D (1)
- 3D coherence scanning interferometry (CSI) (1)
- 5-hydroxynicotinic acid (1)
- AISI 304L (1)
- ALD-Beschichtung (1)
- ALD-Hybridprozesse (1)
- Additive manufacturing (1)
- Admixtures (1)
- Adsorbed layer (1)
- Affinity chromatography (1)
- Affinity extraction (1)
- Affinity support (1)
- Ageing (1)
- Al2O3 thin films (1)
- Al2O3-Schichten (1)
- Aluminium (1)
- Aluminum oxide (1)
- Amino acid analysis (1)
- Amphiphilicity (1)
- Antibodies (1)
- Antibody purification (1)
- Aromatic amino acid analysis AAAA (1)
- Artefact (1)
- Artificial digestion (1)
- Atomic Force Microscopy (1)
- Atomic Layer Deposition (1)
- Atomic force microscopy (1)
- Atomic fraction (1)
- Austenitic stainless steel (1)
- Austenitic steel (1)
- Automatisation (1)
- BADGER film (1)
- BAMline (1)
- BSA (1)
- BadgerFilm (1)
- Beta particle (1)
- Bio-SAXS (1)
- BioSAXS (1)
- Biocomposite (1)
- Biocorrosion (1)
- Biofilm formation (1)
- Biofilm growth (1)
- Boehmite alumina (1)
- Bonding Analysis (1)
- Bovine serum albumin (1)
- Broadband dielectric spectroscopy (1)
- Bulk material (1)
- C-C coupling (1)
- CEO (1)
- CUSP (1)
- Carbon fibers (1)
- Cell imaging (1)
- Cement (1)
- Certified standards (1)
- Chemical Bonds (1)
- Chemical analyses (1)
- Cheminformatics (1)
- Chromatography (HIC) (1)
- Columnar liquid crystals (1)
- Compatible solute (1)
- Confined Columnar Liquid Crystals (1)
- Convolutional neural networks (1)
- Core-shell (1)
- Cosolute (1)
- Creep (1)
- Cryo-TEM (1)
- Crystal Engineering (1)
- DIN EN ISO/IEC 17025:2018 (1)
- DRIFTS (1)
- Data (1)
- Deformation (1)
- Delamination (1)
- Density Functional Theory (1)
- Diffraction (1)
- Direct laser writing (1)
- Discotic Liquid Crystals (1)
- Downstream processing (1)
- Dynamic light scattering (1)
- Dynamics (1)
- EC4SafeNano (1)
- EDS (1)
- EDX (1)
- EPMA (1)
- ESEM (1)
- Ectoin (1)
- Ectoine (1)
- Electro catalyst (1)
- Electron Probe Microanalysis (EPMA) (1)
- Electron probe microanallysis (EPMA) (1)
- Electron probe microanalysis (EPMA) (1)
- Ellipsometric metrology (1)
- Energetic materials (1)
- Energy (1)
- Energy dispersive X-ray spectroscopy (1)
- Energy input (1)
- FTIR (1)
- FTIR spectroscopy (1)
- Fe-Ni (1)
- FeNi (1)
- FeNi thin film (1)
- Femtosecond laser ablation (1)
- Femtosecond laser processing (1)
- Flow-System (1)
- Fluorescence (1)
- Fluorine Interaction (1)
- Functionality type distribution (1)
- Funktionelle Beschichtungen (1)
- G5P (1)
- GEXRF (1)
- GUM-compliance (1)
- GVP (1)
- Gene five protein (1)
- Generator (1)
- Ggraphene polymer nanocomposite (1)
- Glass transition (1)
- Gleitlinien (1)
- Glutaraldehyde (1)
- Gold (1)
- Gold Nanoparticle (1)
- Graphene functionalisation (1)
- Graphene functionalization (1)
- Graphene polymer nanocomposite (1)
- Grazing exit (1)
- Growth Kinetics (1)
- HF (1)
- HV cable accessories (1)
- Haftvermittler (1)
- Hard X-ray photoelectron spectroscopy (HAXPES) (1)
- Harmonisation in microplastics (1)
- Heating oil tanks (1)
- Hexafluorobenzen (1)
- High Pressure (1)
- High entropy alloys (1)
- Human plasma (1)
- Hydrophobic interaction (1)
- Hydroxyectoine (1)
- Härteverlauf Schweißnaht (1)
- ILC (1)
- IR spectroscopy (1)
- Image analysis (1)
- Image segmentation (1)
- Imaging techniques (1)
- In situ Raman (1)
- In situ XRD (1)
- In-Situ Characterization (1)
- In-situ SAXS/WAXS (1)
- Interpenetrating polymer network (1)
- Interpenetrating polymer networks (1)
- Ionizing radiation damage (1)
- Iridium oxide films (1)
- Iridium-titanium mixed oxides (1)
- Iron (1)
- Iron oxide (1)
- Kalottenverfahren (1)
- Keggin Cluster (1)
- Kelvinsondenkraftmikroskopie (1)
- Klebfestigkeit (1)
- Knoevenagel (1)
- Knoevenagel condensation (1)
- Knowledge Readiness Level (1)
- Kombinierete korrosive und mechanische Beanspruchung (1)
- Korrosion (1)
- LIPSS (1)
- Laborvergleich Härte (1)
- Lanthanide(III) (1)
- Large-scale production (1)
- Large-scale synthesis (1)
- Laser-induced pariodic surface structures (1)
- Layer-by-layer deposition (1)
- Lignin (1)
- Lignosulfonate (1)
- Lokale Korrosion (1)
- Luminescent materials (1)
- Magnetic nano-particles (1)
- Material selection (1)
- McSAS3 (1)
- Me-TiO2 (1)
- Mechanism (1)
- Mechanochemical oxidation (1)
- Median lethal energy deposit (1)
- Mesoporous (1)
- Mesoporous materials (1)
- Mesoporous thin films (1)
- Metadata schema (1)
- Metal organic framework (1)
- Metal organic frameworks (1)
- Metallographie (1)
- Microbiologically Influrenced Corrosion (MIC) (1)
- Microbiologically influenced corrosion (1)
- Micropatterned dry adhesive (1)
- Microplastics in milk (1)
- Microplastics sampling (1)
- Microprinting (1)
- Microwave synthesis (1)
- Milling (1)
- Molar mass distribution (1)
- Molecular Conformation (1)
- Monitoring (1)
- Monte-Carlo simulations (1)
- Morpho-chemical characterization (1)
- Multi-sample analysis (1)
- Multielectrode (1)
- Multiphoton Lithography (1)
- Multiphoton lithography (1)
- Nano-particles alignment (1)
- Nano-powder characterization (1)
- Nanomaterial screening (1)
- Nanomaterials (1)
- Nanomechanics (1)
- Nanoplastics (1)
- Nanorisk (1)
- Nanostructures (1)
- Non-classical crystallization theory (1)
- OH Radical (1)
- OH radical scavenger (1)
- OH radicals (1)
- Orientation (1)
- Osmolyte (1)
- Oxygen reduction reaction (1)
- P25 (1)
- PU Learning (1)
- Pair Distribution Functions (1)
- Particle (1)
- Particle scattering (1)
- Particle scattering simulations (1)
- Particle size (1)
- Particle size distribution (1)
- Pharmaceuticals (1)
- Phosphate (1)
- Phosphonates (1)
- Phosphonic acids (1)
- Phosphorus (1)
- Photocuring (1)
- Polyacrylamide (1)
- Polyethylene Terephtalate (1)
- Polyethylene glycol diacrylate (1)
- Polyglycerol (1)
- Polymer (1)
- Polymer Hydrolysis (1)
- Polymer nanocomposites (1)
- Polymeric membrane (1)
- Polymers (1)
- Polymers of intrinsic microporosity (1)
- Poster presentation (1)
- Postfluorination (1)
- Protein a (1)
- Protein hydrolysis (1)
- Protein immobilization (1)
- Protein quantification (1)
- Protein unfolding (1)
- Proton conducting materials (1)
- Proton cunductor (1)
- Proton exchange membrane fuel cells (1)
- Proximatanalyse (1)
- Py-GC/MS (1)
- Quality assurance (1)
- Quantum Chemistry (1)
- REACH (1)
- ROS (1)
- Radical Scavenger (1)
- Radical scavenger (1)
- Rauheit (1)
- Reductive amination (1)
- Reference data (1)
- Reference materials (1)
- Reference nanomaterials (1)
- Reference procedures (1)
- Reference samples (1)
- Referenzdaten (1)
- Reliable characterization (1)
- Resonance (1)
- Rigid amorphous fraction (1)
- SDS-PAGE (1)
- SEM (1)
- Sample preparation (1)
- Sapphire (1)
- Sc-ICP-ToF-MS (1)
- Scanning electron microscopy (1)
- Schichtdicken (1)
- Self-healing (1)
- Self-healing silicone rubber (1)
- Service life (1)
- Shape (1)
- Short chained phthalates (1)
- Si wafer filter (1)
- Si-Ge (1)
- SiGe (1)
- Silica (1)
- Silver nanoparticle (1)
- Simvastatin (1)
- Single cell analysis (1)
- Single-stranded DNA-binding proteins (1)
- Size and size distribution (1)
- Size-exclusion chromatography (SEC) (1)
- Small angle x-ray scattering (1)
- Small-angle scattering (1)
- Small-angle x-ray scattering (1)
- Small-angle xray scattering (1)
- Smart materials (1)
- Software (1)
- Soil (1)
- Stainless steel (1)
- Standardisation (1)
- Standardization (1)
- Standardization of Ellipsometry (1)
- Starch (1)
- Starch nanoparticle (1)
- Structural color (1)
- Sulfur (1)
- Surface Chemical Transformation (1)
- Surface characterization (1)
- Surface chemistry (1)
- Surface morphology (1)
- Sustainability (1)
- Synchrotron CT (1)
- Synchrotron tomography (1)
- Syngle Crystal alloy (1)
- Synthesizability (1)
- TED-GC-MS (1)
- TEM (1)
- TGA-FTIR (1)
- TKD (1)
- TMDSC (1)
- TRIS (1)
- Technical Lignin (1)
- Temeprature scaling (1)
- Temperature (1)
- Temperature scaling (1)
- Textile fibres (1)
- Themal Transitions (1)
- Thermoelectrics (1)
- Thermomagnetic material (1)
- Thermoplastic Polyurethane (1)
- Thermoresponsive polymer (1)
- Thickness (1)
- Thin film metrology (1)
- Thin polymer films (1)
- Ti6Al4V alloy (1)
- TiO2 nanoparticle (1)
- Time-offlight secondary ion mass spectrometry (ToF-SIMS) (1)
- Titania nanoparticles (1)
- Topas (1)
- Topas-MC (1)
- Topas-nBio (1)
- Topometry (1)
- Total scattering analysis (1)
- Traceability (1)
- Transmission Kikuchi Diffraction (TKD) (1)
- Transmission electron microscopy (1)
- Trinkwasser (1)
- Two photon polymerisation (1)
- Two-dimensional liquid chromatography (2D-LC) (1)
- Tyrosine (1)
- UCST-type polymer (1)
- UV Weathering (1)
- Ultrafast laser processing (1)
- Uncertainty budgets (1)
- Verbundfestigkeit (1)
- WAXS (1)
- Wasseraufbereitung (1)
- Waste heat recovery (1)
- Water/alcohol mixtures (1)
- White light interference microscopy(WLIM) (1)
- Workflow (1)
- X-ray diffraction (1)
- X-ray scattering (1)
- XANES (1)
- XAS (1)
- Zersetzungsgasanalyse (1)
- Zirconium (1)
- low energy electrons (1)
- ssDNA (1)
- µ-FTIR (1)
- µ-Raman (1)
- µ-XRF (1)
Organisationseinheit der BAM
- 6 Materialchemie (200) (entfernen)
The exploration of metal phosphonates chemistry has gained great interest during the last decades, because of their structural diversity. Transition metal phosphonates are promising candidates for an application as electrocatalysts in oxygen evolution reactions (OER).
Here, we present the in situ investigation of mechanochemical syntheses of different manganese phosphonates by synchrotron X-ray diffraction. Nitrilotri(methylenephosphonic acid) and N,N-Bis(phosphonomethyl)glycine were chosen as ligands. The liquid-assisted milling process can be divided into three steps, including an amorphous stage. One of the products has not been obtained by classical solution chemistry before.
These metal phosphonates and/or their derivatives are considered to be active in electrochemical energy conversion. The verification of their applicability is one of the topics of our resent research.
Mechanochemistry is a versatile approach for green and fast synthesis of pure substances. By milling the reactants, various organic, inorganic, and metal-organic compounds can be obtained in high yields. Although mechanochemistry is widely used, the underlying mechanisms are not fully understood making mechanochemical reactions difficult to predict. Metal phosphonates are metal-organic compounds accessible by grinding. Because of their structural diversity, the exploration of the chemistry of metal phosphonates has gained considerable interest during the last decades. Transition metal phosphonates are promising candidates for an application as electrocatalysts in oxygen evolution reaction (OER). Here, we present the in situ investigation of the mechanochemical synthesis of a manganese(II)-phosphonate by synchrotron X-ray diffraction and thermography. The product has not been obtained by classical solution chemistry before and its crystal structure was determined from PXRD data. The milling process can be divided into different steps, with the product crystallization corresponding with the highest temperature rise. The activity of this metal phosphonate towards OER was measured and is presented here.
Mechanochemistry is a versatile approach for green and fast synthesis of pure substances. The exploration of the chemistry of metal phosphonates has gained considerable interest during the last decades due to their structural diversity. We synthesized manganese phosphonates in milling reactions. The mechanochemical reactions were investigated in situ to reveal the underlying mechanisms.
Material Selection Strategy
(2023)
In the pursuit of discovering materials with desirable properties, extending the available material libraries is crucial. High-throughput simulations have become an integral part in designing new materials in the past decades. However, there is no straightforward way of distinguishing synthesizable materials from all the proposed candidates. This project focuses on employing AI-driven methods to estimate synthesizability of materials.
Up to now, material scientists and engineers have relied on domain knowledge as well as empirical heuristics to guess the stability and synthesizability of molecules and crystals. The famous Pauling rules of crystal stability are an example of such heuristics. However, after the accelerating material discovery in all the years since Pauling, these rules now fail to account for the stability of most known crystals. A new predictive set of heuristics for crystal stability/synthesizability is unlikely to be uncovered by human perception, given the magnitude and dimensionality of crystallographic data. Hence, a data-driven approach should be proposed to find a predictive model or set of heuristics which differentiate synthesizable crystal structures from the rest. The main challenge of this research problem is the lack of a negative set for classification. Here, there are two classes of data: the positive class which contains synthesizable materials and the negative class which contains materials which are not synthesizable. While the data from the positive class is simply the data of crystals which have been experimentally synthesized, we do not have access to data points which are certainly unsynthesizable. Strictly speaking, if an attempt of synthesizing a crystal fails, it does not necessarily follow that the crystal is not synthesizable. Also, there is no database available which contains the intended crystal structures of unsuccessful synthesis attempts.
This project proposes a semi-supervised learning scheme to predict crystal synthesizability. The ML model is trained on experimental and theoretical crystal data. The initial featurization focuses on local environments which is inspired by the Pauling Rules. The experimental data points are downloaded through the Pymatgen API from the Materials Project database which contains relaxed structures recorded in Inorganic Crystal Structure Database – ICSD. The theoretical data is queried from select databases accessible through the Optimade project’s API.
One of the biggest problems in high-voltage silicone rubber insulation cable accessories is the damage on electrical treeing, initiated by partial discharges. The electrical treeing starts at unavoidable imperfections inside the material or at interfaces. The damage is usually irreversible and leads around the starting points to a partial destruction of the material. To prolong the lifetime and thereby to increase the assurance of the structural component commonly, for mechanical improvement constituted filler is modified to obtain a self-healing silicone rubber. Damage mechanism is analysed to address the filler to the damage mode.
A series of different nanoparticle suspensions (Gold, Latex, and SiO2 in varying concentrations) were microprinted onto TEM grids in a 4 x 4 array in the concentration range 7x10^8 to 1x10^11 NP/mL and imaged with SEM and TSEM. Concentrations and printing conditions (temperature, relative humidity) were varied in order to minimize the coffee ring effect.
UCST-type thermoresponsive polymers (i.e. that phase separate from solution upon cooling) present a tremendous potential not only in aqueous media with applications in the field of drug delivery, diagnostic and microfluidic applications, but also in water/alcohol mixtures, where they can be used for instance in sensing systems for alcohol-soluble drugs. However, only a few thermoresponsive polymers have been reported that present an UCST in a relevant temperature range and “green” solvents such as water or ethanol.
In this context, acrylamide-based monomers can be very useful building blocks for designing novel non-ionic UCST-type polymers because of their hydrophilic nature (with the appropriate side chain) and propensity to form hydrogen bonds. We will present our latest results on the UCST-type thermoresponsive behaviour of acrylamide- and/or 2,6-diaminopyridine-based homopolymers and copolymers in water or water/alcohol mixtures, and give some insights about the rational design of UCST polymers relying on H-bonding.