Structure Formation

The program division “Structure Formation” investigates how molecules, polymers and colloidal particles join to form materials. It studies fundamental processes of structure formation and applies them to prepare new materials from liquid precursors.

We study how the properties of composite and hybrid materials depend on their microstructures and how to change them. To this end, we systematically vary size, geometry, chemical composition, and arrangement of the materials’ constituents. We observe how microstructure and interfaces form and affect material properties to create transparent conductive layers of metal nanoparticles for electronics, composites of conductive polymers with optically active particles for sensors and supraparticles that contain optically active nanoparticles, for example. We see particles as the basis of future “active nanocomposites” that can interface with electronics and change their properties whenever required.

Prof. Dr. Tobias Kraus, Leiter Strukturbildung
Prof. Dr. Tobias Kraus
Head of Structure Formation
Telefon: +49 (0)681-9300-389
Team Members
Research Scientist
Phone: +49 (0)681-9300-314
E-mail: lisa.beran@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-243
E-mail: muniba.bhatti@leibniz-inm.de
Technician
Phone: +49 (0)681-9300-373
E-mail: Simon.Blum@leibniz-inm.de
Technician
Phone: +49 (0)681-9300-211
E-mail: anja.colbus@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-370
E-mail: yannic.curto@leibniz-inm.de
Visiting Scientist
Phone: +49 (0)681-9300-342
E-mail: muamer.dervisevic@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-411
E-mail: Siham.Ez-Zahraoui@leibniz-inm.de
Research Assistant
Phone: +49 (0)681-9300-486
E-mail: leon.germann@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-137
E-mail: gisela.heppe@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-145
E-mail: tzu-lin.ho@leibniz-inm.de
Research Assistant
Phone: +49 (0)681-9300-108/251
E-mail: aleyna.ilgezdi@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-210
E-mail: pamela.kalmes@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-319
E-mail: thomas.kister@leibniz-inm.de
Head of Structure Formation
Phone: +49 (0)681-9300-389
E-mail: Tobias.Kraus@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-331
E-mail: makara.lay@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-370
E-mail: lingyu.liu@leibniz-inm.de
Research Assistant
Phone: +49 (0)681-9300-108/251
E-mail: lane.magid@leibniz-inm.de
Research Assistant
Phone: +49 (0)681-9300-108/251
E-mail: camila.briones@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-453
E-mail: maedeh.najafi@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-310
E-mail: albenc.nexha@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-437
E-mail: Bart-Jan.Niebuur@leibniz-inm.de
Apprentice Chemical Lab Technician
Phone: +49 (0)681-9300-181
E-mail: josef.nikkheslat@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-232
E-mail: bernd.reinhard@leibniz-inm.de
Research Scientist
Phone: +49 (0)681-9300-337
E-mail: peter.rogin@leibniz-inm.de
Research Assistant
Phone: +49 (0)681-9300-108/251
E-mail: ayesha.sarwar@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-341
E-mail: dominik.schmidt@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-341
E-mail: rustam.shnigirev@leibniz-inm.de
Guest doctoral student
Phone: +49 (0)681-9300-416
E-mail: caterina.tortorici@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-145
E-mail: piyush.uniyal@leibniz-inm.de
Technician
Phone: +49 (0)681-9300-331
E-mail: andreas.weyand@leibniz-inm.de
Doctoral Student
Phone: +49 (0)681-9300-416
E-mail: wenxin.yang@leibniz-inm.de
Cooperation

INM Fellowship project with Prof. Nico Voelcker, Monash University in Melbourne

The aim of this project is to establish a collaboration for Responsive Release Materials that will focus and enhance the collaboration between the Leibniz Institute for New Materials (INM) and the Melbourne Centre for Nanofabrication (MCN) in Australia.

Schematic graphic of responsive release materials: metal nanoparticles, drug molecules, and porous silicon carriers are combined into nanomaterials for multi-stage drug delivery and photothermal therapy against cancer cells.

Nanomaterials can enhance the delivery of therapeutics to diseased tissues or cells, for example if their size and shape are suitable for cell internalization, or via their large specific surface area. Here, we combine this principle with the ability of gold nanoparticles to be heated at a distance with electromagnetic radiation. The resulting heat can be exploited to kill pathogens or cancer cells, or make them more susceptible to conventional drug treatment. Gold nanoparticles will be integrated into larger porous silicon particles in order to design multi-stage drug delivery platforms. The program leverages complementary expertise in bottom-up materials synthesis at the INM and cutting-edge nanofabrication techniques available at the Melbourne Centre for Nanofabrication.

Current Projects

3D-ConAn: Quantitative analysis of 3D conductive network structure in composites

3D-ConAn: Quantitative analysis of 3D conductive network structure in composites

In this project, we fabricate stretchable, conductive polymer composites (CPCs) based on silver particles. The particles are dispersed in an elastomer matrix. Above the percolation threshold, the material becomes conductive as a long-range network is formed. We analyse the 3D structure of the network by Focused Ion Beam – Scanning Electron Microscopy (FIB-SEM) tomography and correlate microscopic network metrics with macroscopic conductivity of the material. Furthermore, electromechanical tensile/compression tests are performed, and the network structure is correlated with material’s dynamic behaviour. As a model material we use spherical silver particles in a polydimethylsiloxane (PDMS) matrix.

Three-dimensional reconstruction of many densely packed particles in a composite; individual particles are shown in different colors to make their distribution and shape within the material visible.

SensIC: Stretchable electronic materials for product-integrated printed sensors

Makara Lay & Thomas Kister: SensIC

In this project, INM develops new materials for printable temperature sensors and their mechanically flexible connection. Inks and pastes for inkjet and screen-printing technologies are prepared based on mixtures of molecular, nanoscale, and microscale components that form functional structures and require little or no sintering. The molecular nature of the internal interfaces is studied and modified in order to enable reliable performance upon mechanical cycling. Close collaboration with the partners Continental and KIT guarantees the compatibility of the materials with suitable processing. In addition, INM investigates encapsulation materials that add security and unalterable device identification in collaboration with the partner Polysecure.

Schematic graphic of a stretchable printed conductor: a structure made by screen printing conductive ink containing carbon black, silver particles, and PDMS deforms under tension into a stretchable conductor.

AdRecBat: Recyclability-by-Design for Lithium Ion Batteries

Bettina Zimmer & Qijun Xie: AdRecBat

In light of the growing demand for lithium-ion batteries and limited supply of key raw materials, there is an urgent need for efficient and sustainable recycling. In traditional (indirect) recycling, battery modules are thermally disintegrated or shredded before being processed pyro- or hydrometallurgically. This requires a lot of energy and/or chemicals, and some compounds (e. g. cathodic active material) and elements (e. g. lithium in the case of pyrometallurgy) cannot be recovered.

In AdRecBat (additive-based ‘design for recycling’ of lithium-ion batteries), we develop a recycling process for direct recovery of active materials: Battery components will not be destroyed but separated from each other with the aid of trigger additives. The latter will be designed and integrated such that

  • they cause debonding through external stimuli (e. g. temperature, pH) at three key interfaces: (1) sealing seam of the pouch cell, (2) interface current collector foil-electrode and (3) interface active material-binder.
  • good battery performance and safety are ensured.

We collaborate with the Fraunhofer Institute for Silicate Research in Würzburg (ISC) and the Friedrich-Alexander-Universität in Erlangen (FAU). At the INM, we prepare and investigate the effect of trigger additives (e. g. blowing agents, surfactants) for interfaces (2) and (3).

Schematic graphic of a design-for-recycling concept for batteries: trigger additives are integrated at three separation points in the battery to selectively release components through external stimuli such as a magnetic field, temperature, or pH change and recover directly recyclable materials.

StableInK: Stabilization mechanisms of non-polar metal nanoparticles

Tobias Knapp – StableInK: Stabilization mechanisms of nonpolar metal colloids with thin organic shells

Metal colloids such as gold nanoparticles can be used as building blocks for a variety of applications (such as printable electronics or sensor technology). The main problem is the low stability of the inks, which causes the particles to precipitate during storage (agglomeration). The project will investigate the interactions between the different components of the dispersion (core, shell, solvent) to understand the underlying stabilization mechanisms. The project will develop model systems for the colloidal stability of non-polar nanoparticle dispersions.

Schematic illustration of nanoparticle agglomeration: initially dispersed individual particles cluster together to form larger aggregates.

LT-PhotoInk: Nanoparticle inks for easily sintering printed electronics

Gisela Heppe – LT-PhotoInk: Ag nanoparticle inks for photonic sintering of inkjet-printed structures on substrates with low thermal resistance

The aim of the project is to develop materials for electronics that can be printed by inkjet on more temperature-sensitive but therefore more cost-effective substrates. This also brings into focus carrier materials that are flexible or transparent, thus opening new areas of application. This is achieved by a photo-sintering process that can be carried out at low temperatures, which requires a special ink-jet ink which consists of silver nanoparticles. To achieve photo-sintering of the ink at low temperatures, the particle surface must be coated with suitable ligands, among other things. Under the chosen sintering conditions, this leads to a destabilization of the dispersion, allowing as many conductive contact paths as possible to be formed between the silver nanoparticles. In addition, nanoparticles of specific shapes and sizes are combined to optimize energy absorption in the sintering process. The aim is to achieve the conductivity of pure silver with the conductor paths printed in this way.

/ Inkjet printed electronics on temperature sensitive materials e.g. paper

Flexible Elektronics

CompoAge: Ageing mechanisms of polyurethane nanocomposites

PU-composites

Nanoparticles influence the physical and the chemical properties of composite materials. In this project the influence of the amount of nanoparticles on the ageing behavior of polyurethane-based composites shall be investigated. Therefore, a polyurethane-based material is modified with different amounts of silica nanoparticles (0-30 wt.%). Because the dispersion of the silica nanoparticles within the matrix influences the material properties, ultramicrotome sections of the silica modified composites are prepared and the dispersion of the nanoparticles in the matrix is investigated by Transmission Electron Microscopy (TEM). To simulate the ageing, the silica modified composites are stored in a KOH-solution (20% ) at ambient temperature. Afterwards the influence of amount of silica nanoparticles is investigated by measuring the mechanical properties (determination of tensile strength and Young’s modulus by tensile tests and determination of microhardness) as well as the thermomechanical properties (determination of glass transmission temperature – Tg and Young’s modulus by Dynamic Mechanical Analyses – DMA and Differential Scanning Calorimetry – DSC) of the modified composites. Possible chemical changes are detected by IR-spectroscopy.

PALS: Plasmonically activated Living Materials

Selim Basaran – Infrared-activable Engineered Living Materials

Engineered Living materials (ELMs) are a type of advanced material that incorporates engineered living organisms (responsive function) into the material matrix (scaffold function). These materials are designed to exhibit biological functionality such as responsiveness to environmental stimuli to produce e.g. proteins or drugs.

We integrate gold nanorods in ELMs to design IR-sensitive Engineered Living Materials with biomedical applicable structures that can rapidly reach 39°C-44°C by plasmonic NIR light stimulation to induce protein or antibiotic production. The temperature profile is controlled by combination of IR thermography and thermocouples. The protein and drug production are quantified as a function of plasmonic stimulation by gold nanorods via ex situ fluorescence microscopy and ESI-MS.

Schematic illustration of a remotely controllable living material with a hydrogel shell and a biologically active core; infrared light heats the material and triggers protein production.
BROADCAST: Stretchable conductors for dielectric actuators in soft robots

Lingyu Liu– Biomimetic robots autonomously driven by dielectric elastomers

Compared to traditional robots, soft robots are usually composed of soft stimuli–responsive materials, which make them have good adaptability and compliance and can interact with the environment. The soft stimuli–responsive materials commonly used in soft robots include dielectric elastomers (DEs), and multi-functional DEs with bio-inspired control strategies can achieve autonomous peristalsis, locomotion, and similar behavior. Nowadays, the improvement in soft robots is hampered by a lack of materials for such circuits and missing rules for design. In this project, we collaborate with soft robotic engineers to investigate novel, autonomously running electro-mechanical soft conductive materials for driving soft biomimetic robotic systems to predict the complex electro-mechanical behavior of those structures.

Schematic illustration of a soft robotic arm gripping a tomato; carbon black and graphene flakes are shown below as conductive material components.
StableWires: Ligand shells and the shape stability of ultrathin nanowires

Yannic Curto: Project Stable Wires

Shape stability is an inherent limitation of ultrathin nanowires. Because a thin wire can break up into spheres due to a phenomenon is called Rayleigh-Plateau instability. It is not possible today to predict which nanowires remain structurally stable under which conditions. It is known, however, that the structural stability of ultrathin nanowires depends both on surface chemistry and solid structure. Ligands play a key role in the formation of highly anisotropic nanowires, and the same ligands contribute to structural stability. We study in this project the structural stability of chemically synthesized, ultrathin nanowires to identify the role of solid core material and molecular ligand shell in wire stability. Therefore, we synthesize different metal and semiconductor nanowires with very similar core diameters below 10nm and with different ligand shells.

Schematic illustration of an ultrathin nanowire with a metal or semiconductor core and a surrounding ligand shell; highlighted factors affecting stability include shell chemistry, ligand density, solvent environment, bundling, and temperature.
InPrint-HyPoCo: Inkjet-Printable Hybrid Particle Polymer Composites

Michael Klos: Mechanically robust, sinter-free conductive particle-polymer-nanocomposites

The fast and cost-effective production of conductive electrodes and electrically conductive structures is of particular interest for RFID sensors or smart packaging. Thin layers can be printed with inkjet printing on different substrates to save material. These are often sensitive toward mechanical deformation or have a bad adhesion to the substrate. In addition, the often-needed thermal post-treatment limits the application.
In this project, we investigate the mechanical properties, as well as the adhesion of inkjet printed lines, of our hybrid sinter-free gold nanoparticle ink. We prepare nanocomposites of the PEDOT:PSS stabilized gold nanoparticles and various non-conductive polyvinyl alcohols. We investigate the influence of different molecular weights and degrees of hydrolysis of the polyvinyl alcohols on the mechanical properties and conductivity.

Infographic on sinter-free conductive nanocomposites: on the left a vial containing an ink sample, at the top a schematic of conductive gold nanoparticles and conductive polymer, and at the bottom microscopy images of printed lines with and without PVA; with PVA, the structure appears more uniform.
DigiBatMat: A digital platform for battery material data

Andriy Taranovskyy & Lisa Beran: DigiBatMat

The DigiBatMat project is a part of nationwide initiative of German Federal Ministry of Education and Research (BMBF)– Plattform MaterialDigital, which aims to digitize materials and the transformation of their properties during the technological production processes. Within this project, a digital platform of battery production process was developed that contains steps (raw materials mixing, electrode calendaring, cell assembly etc.) and items (raw materials, intermediate products, electrodes, cells etc.). The structure is filled with reference heterogenous data of the production process parameters as well as the battery materials properties, derived from various analytical methods that were performed on items at different stages of the production chain. All are linked in the database according to their position in the whole process chain. Besides structuring the data, the platform will include additional functionalities for data driven research, such as correlation analysis and machine learning. At the INM, we study the comprehensive effect of conductive additive properties (morphology, surface chemistry) together with the mixing speed during the dispersion step that effects its particle size distribution on the conductivity of battery electrodes and electrochemical performance of full cells. Representative data of multiple characterization methods, including (electro-)rheology, tomography, Boehm titration, light microscopy, SAXS, and more, is collected, analyzed and uploaded into the digital platform. This research is done in collaboration with our partners from Institute for particle technology (iPAT), Institute of Machine Tools and Production Technology (IWF), Aalen University, AWS – Institute for digital products and processes gGmbH and is located in the ProZell Competence Cluster at Project Management Jülich.

Flow diagram of battery cathode production and related characterization methods: it shows the process steps from raw materials through mixing, slurry preparation, coating, and calendering to the final electrode, alongside measurement data and microscopy images on mixing speed, particle size, areal capacity, density, and microstructure.
GreenPaste: Recyclable, low-sintering silver pastes for sustainable printed electronics

David van Impelen: Screen printing of silver pastes for sustainable printed electronics

One way of creating electronic components and circuits is by employing printing techniques. Some advantages of this include a wide range of substrate choice, introducing flexibility and facilitating recycling of the components. In this project we print pastes containing silver micro particles using a technique called screen-printing. To increase the conductivity, we heat up the prints to induce sintering of the silver microparticles. Sintering is a diffusion-based process leading to interconnection of the silver particles, which results in a higher conductivity of the printed layer of particles. At which temperatures this sintering process is induced depends on size, shape, and chemistry of the silver particles.

Schematic circular diagram of the sustainable production and recycling of screen-printed silver pastes: silver particles are mixed with solvent to form a paste, printed onto a substrate and dried, then sintered, separated from the substrate, redispersed by sonication, and reprocessed into a new paste.
ARNIM II: dynamics and structure of agglomerating nanoparticles in mirogravity

Bart-Jan Niebuur: ARNIM II: dynamics and structure of agglomerating nanoparticles in mirogravity

Self-assembly of nanoparticle superstructures allow us to produce materials with well-defined geometries and, therefore, electrical and optical properties. This is very interesting for materials: For example, electrically conductive metal nanoparticles can be arranged in an insulating matrix to maximize or minimize conductivity, depending on whether a dielectric is required or a conductor. Unfortunately, this process is hindered by gravity: Larger arrangements of metallic particles are very filigree but heavy enough to be torn by their own weight so that, for example, connectivity and thus conductivity is lost.

Four sequential images of a rocket launch: a rocket lifts off from a launch pad and rises into the sky with flames and smoke.

Copyright: DLR

The ARNIM-II project, supported by the German Aerospace Center (DLR), addresses the question how gravity influences self-assembly of metallic nanoparticles. For this, an experimental setup is developed to investigate structural properties of dispersions on length scales ranging from 50 nanometer up to milimeters, combining three different optical experimental methods, which is suitable for flights on sounding rockets. On board a sounding rocket of the MAPHEUS-programm of the DLR (apogee ~250 km, which allows approximately 6 min of microgravity), we investigate the agglomeration of gold nanoparticles. The results will help to develop new strategies for bottom-up production methods for functional materials.

Biofunctional Inkjet-printable Au Sensor

Muniba Bhatti & Yannic Brasse

We discuss the synthesis and properties gold nanoparticle (AuNPs) inks that are conductive directly after deposition and can be functionalized with biological molecules. A conductive biopolymer (P3KHT) from the class of polythiophenes was immobilized on quasi-spherical gold nanoparticles with diameters of 74 ± 19 nm. Glucose oxidase (GOx) was covalently bound selectively to the functional carboxylate groups in the polymer side chains under mild reaction conditions. The coupling with EDC/NHS was performed in solution prior to deposition or on the surface of dropcasted AuNPs@P3KHT structures. In both cases, one amine group of GOx was covalently bound to the functional carboxylate groups. In future this ink should be used to fabricate electrodes with enhanced surface structure in order to improve the enzymatic signal in amperometric glucose sensing.  

Schematic comparison of two routes for bioconjugating gold-containing nanoparticles on a substrate: in the top row, the particles are deposited first and then linked to biomolecules; in the bottom row, the biomolecules are linked before deposition.

Figure 1. Schematic procedure of bioconjugation to the bioactive gold-polythiophene hybrid nanoparticles AuNPs@P3KHT, which can the performed (a) after film formation by deposition (surface bioconjugation) or (b) before deposition in the particle dispersion (solution bioconjugation). 

ReIn-E: Recyclable integrated electronics

Ecological prudence and regulation of the European Union and national governments require an increasing level of recycling for electronics. While polymer-integrated electronics can reduce the amount of material used, the recovery of materials (metals and polymers) from integrated parts is more difficult than for conventional electronics. This constitutes a severe risk for the innovation, but it can be mitigated by well-informed material choice and design adaptation. To this end, ReIn-E will introduce, test, and optimize new materials for “release layers” as part of this design; ensure the reliability, performance, and market compatibility of the recyclable design; establish a “best practice” model cycle from the production of pastes through printing, molding, and metal recovery.

I-Seed

I-Seed: Distributed environmental sensing with sensor materials in soft robots

I-Seed unites bioinspired soft robotics, material science, and environmental science, with the aim of developing a new generation of self-deployable and biodegradable soft miniaturized robots that mimic the behavior of plant seeds. These robots, composed of artificial plant structures and sensor materials, are designed to monitor in-situ environmental parameters in air and topsoil, such as the presence of pollutants, moisture, CO2 levels, temperature, and water quality. Within this project, we are engineering fluorescent sensor materials whose optical properties are dependent on environmental factors. All these fluorescent materials will be chosen for their degradability and environmental compatibility.

Schematic illustration of a distributed environmental sensing system: a drone locates seed-like soft microrobots on the ground using LiDAR and a laser, excites fluorescent sensor materials, and detects the emitted light to analyze environmental parameters. The deployment of the microrobots through the air is shown on the right.
ARNIM: Agglomeration Of Nanoparticles in Microgravitation

Modern methods of “self-arrangement” allow us to produce larger structures from nanoparticles whose geometry is defined to a certain degree. This is very interesting for materials: for example, electrically conductive metal nanoparticles can be arranged in an insulating matrix to maximize or minimize conductivity, depending on whether a dielectric is required or a conductor.
Unfortunately, gravity gets in the way here: larger arrangements of metal particles are very filigree but heavy enough to be torn by their own weight so that, for example, connectivity and thus conductivity is lost. In the ARNIM project, supported by the German Aerospace Center (DLR), we are investigating whether this can be prevented by switching off gravity. To do this, we first use a drop tower (ZARM in Bremen) and “throw” agglomeration experiments in such a way that gravity is eliminated for a few seconds. In the future, experiments on board rockets or the international space station are also planned, which will allow longer agglomeration experiments.
If it turns out that the agglomerates are actually destroyed by their weight, we have to strengthen them – for example by using nanowires. But it could also be that it is not gravity at all, but details of the agglomeration process. These questions are therefore at the heart of the project.

AGGLOSENSE: MEASURING MECHANICAL DEFORMATION WITH CONDUCTIVE NANOCOMPOSITES

Normally, composites of elastomers and conductive carbon particles are used if the material is to be and remain conductive. This is, for example, how antistatic shoe soles or gaskets are produced. In the DFG-funded AggloSense project, we want to achieve the opposite: maximum change in electrical conductivity during deformation.
In cooperation with Professor Tanja Schilling from the University of Freiburg, we are investigating what the conductivity of such composites depends on. Carbon particles (so-called “carbon black”) are in fact not spheres, but very complex agglomerates with often fractal structures. In the material they touch each other in a way that is difficult to predict. By comparing the structure of specifically produced materials with simulated arrangements and measurements of conductivity with and without deformation, we hope to find out how the change in conductivity can be made large.

Confelcon: Conformal Electrical Contacts
Schematic illustration of conformal electrical contacts: a flexible contact structure is pressed with force onto an uneven surface; three detail views below show different conductive material concepts based on carbon black and CNTs, metal wires, and metal wires with conductive polymer.

Connecting biological objects with electronics requires soft electrical contacts. To that end, we explore the fabrication of micro-fibrillar adhesion devices from electrically conductive materials. Detailed characterization of these devices reveals the relationship between adhesion properties and electrical resistivity. Their application as electrically tunable devices is also explored.

ActiN: Active nanocomposites

Embedded nanoparticles lend today’s nanocomposites useful properties such as color, strength, or a high refractive index. Their arrangement affects these properties but does not usually change after material synthesis because the particles are bound too strongly in the matrix. We investigate nanocomposites in which metal nanoparticles can move and reorganize in reponse to a stimulus. Thus, the color or other properties of the composite change. In this project, we synthesize model particles and study how they can be embedded such that they retain a certain mobility.

Schematic illustration of a hydrogel composite with alkane droplets and embedded gold nanoparticles: an external stimulus changes the arrangement of the particles inside the droplets, causing the material’s color to change during heating and cooling.
IMPROVe-STEM: New materials for the proliferation and expansion of stem cells

This interdisciplinary project aims at the scalable growth of mesenchymal stem cells using new carrier materials for proliferation. In collaboration with cell biologists, biochemists, chemists and material scientists, we modify surfaces of microspheres so as to increase cell adhesion, help cell proliferation and allow for their easy detachment from these microbeads. The materials-oriented part of the project involves surface characterization of beads which are about 100 µm in size followed by their surface modification such as by polymer graft, plasma activation, and changing surface roughness and surface charges. The project is a part of “European territorial cooperation”  INTERREG.

Logo Interreg
Microscopic image of three round microbeads; the central bead is touched from the right by a fine tip.
Logos of several research institutions and universities, including LRGP, CNRS, University of Kaiserslautern, University of Liège, Université de Lorraine, and LIST.
HYBDI: Hybrid Dielectric Layers

In addition to conductive layers, dielectric layers are also required for printed electronics, e.g. for capacitor elements. Pure polymer layers show a limited polarization in the electric field and hence a relatively low dielectric constant. We investigate hybrid layers of gold nanoparticles separated by insulating ligands. On the one hand, the polarization capability of the hybrid material and the dielectric constant of the layer are to be increased by the metallic particles. On the other hand, a charge transport between the nanoparticles and the failure of the dielectric layer is to be prevented.

Schematic illustration of a hybrid dielectric layer with gold nanoparticles between a top gold contact and a bottom aluminum electrode on silicon; on the right, an impedance spectroscopy setup with two electrodes on a coated sample is shown.

Completed Projects

IGLU: INKJET PRINTING OF RFID ANTENNAS ON PAPER WITH HYBRID INKS

In the NanoSpekt project, we developed sinter-free hybrid inks to apply electrical conductors to sensitive surfaces without sintering – including paper and cardboard. In this project, in cooperation with the Papiertechnische Stiftung (PTS), we are investigating how this material can be used to print RFID antennas for contactless identification of packaging directly on carton.

Paper and cardboard are very important, but also difficult substrates: their surface is porous, and during printing the ink penetrates, making the electrical conduction more difficult. Furthermore, paper begins to curl when heated too much and cartons are folded, which can easily damage conductive structures. Therefore, in this AiF-funded cooperation, we are investigating how to make the connection between the cardboard and the ink strong enough – and how to incorporate additional functions into cartons, preferably directly at the manufacturer.

NanoSpekt: Transparent conductive materials based on nanoparticles

Flexible and printed electronics require new materials. Here, we focus on optically transparent materials for the electronics of the future. This BMBF-funded research project, a part of the NanoMatFutur initiative, uses nanoparticles with defined shapes and arrangements inside polymers to make transparent electrodes for touch-screen display or solar cells, for example. Chemists, material scientists and an engineer collaborate very closely to create new materials that can be processed with well-established wet coating and printing techniques.

Composite image on transparent flexible electronics: on the left, a bendable transparent component is held between clips, with electron microscopy images of nanoscale conductive structures and a magnified detail below. On the right, a gloved hand holds a transparent film with the INM logo; below, another microscopy image shows a regular network of fine structures.
SteelParticles: Colloidal characterization of particles from steel

Microalloyed steels contain carbonitride nanoparticles which are responsible for their compelling mechanical properties and good weldability.

In cooperation with the Dillinger Hütte, a steel mill in Saarland, we are investigating the size distribution, chemical composition and morphology of the particles contained in the provided steels. Particle analysis is performed using methods that we developed for colloidal particles and that are not usually employed in metallography.

Infographic on the extraction and characterization of particles from steel: on the left a metal block with dark inclusions, in the center two sample vials containing extracted particles in solution, and on the right a graph of particle size distribution with an electron microscopy image of individual nanoparticles.

Publications:

AggloTox: Agglomeration of nanoparticle-protein mixtures

Mixtures of nanoparticles and proteins tend to form hybrid agglomerates. We are interested in the agglomeration mechanisms and the structure of such agglomerates to better understand their role in medicine, ecology, and biomaterials.

Formation Mechanism for Stable Hybrid Clusters of Proteins and Nanoparticles (ACS)

ACS NANO, DOI: 10.1021/acsnano.5b01043

DINAFFF: Nanoparticle analysis with Field-Flow Fractionation

Field-flow fractionation can fractionate particles after size, but it is often plagued by losses of particles due to adsorption and agglomeration. This AiF-ZIMM-project (supported by the BMWi) aims to reduce such losses and make FFF suitable as a standard technique for nanoparticle detection in products, the environment, and food.

HOP-X: Particle-polymer hybrid X-ray imagers

Digital imagers for medical X-ray are based on ceramic layers. This project is a BMBF-funded effort, coordinated by Siemens, to build X-ray imagers based on a new material that contains conductive polymers and inorganic particles. The particles absorb and convert X-ray photons, the polymer transports the charges to electrodes. The Structure Formation Group is mainly concerned with the analysis of the particle-polymer composites’ structures, its origins in fabrication, and its effect on detector performance.

MobiNano: Mobility and interaction of agglomeration nanoparticles

Interactions drives particles to agglomerate, mobility allows them to follow this drive. We use flow setups and synchrotron Small-Angle X-ray Scattering (SAXS) to study early stages of agglomeration. The results help us to better understand the formation of composites, crystallization mechanisms, and biomineralization phenomena.

NanoConfine: Arrangement of particles in emulsion droplets

Nanoparticles that are trapped in emulsion droplets react to their confinement depending on the surfactant. Some of them form beautifully ordered “supraparticles”, fully defined structures that remind of noble gas condensates or small metal clusters. We study how nanoparticles interact with each other and liquid-liquid interfaces in this DFG-funded project. Tanja Schilling at the University of Luxembourg use simulations to predict and understand structure formation, we explore it experimentally.

References:

Publications

2021
Reversible magnetism switching of iron oxide nanoparticle dispersions by controlled agglomeration

Müssig, Stephan | Kuttich, Björn | Fidler, Florian | Haddad, Daniel | Wintzheimer, Susanne | Kraus, Tobias | Mandel, Karl

DOI:

The controlled agglomeration of superparamagnetic iron oxide nanoparticles (SPIONs) was used to rapidly switch their magnetic properties. Small-angle X-ray scattering (SAXS) and dynamic light scattering showed that tailored iron oxide nanoparticles with phase-changing organic ligands shells agglomerate at temperatures between 5 °C and 20 °C. We observed the concurrent change in magnetic properties using magnetic particle spectroscopy (MPS) with a temporal resolution at the order of seconds and found reversible switching of magnetic properties of SPIONs by changing their agglomeration state. The non-linear correlation between magnetization amplitude from MPS and agglomeration degree from SAXS data indicated that the agglomerates’ size distribution affected magnetic properties.

DOI:

Nanoscale Advances ,
2021, 3 (10), 2822-2829.

OPEN ACCESS
Nanoscale disintegration kinetics of mesoglobules in aqueous poly(N-isopropylacrylamide) solutions revealed by small-angle neutron scattering and pressure jumps

Niebuur, Bart-Jan | Chiappisi, Leonardo | Jung, Florian A. | Zhang, Xiaohan | Schulte, Alfons | Papadakis, Christine M.

DOI:

Identification and control of the disintegration mechanism of polymer nanoparticles are essential for applications in transport and release including polymer delivery systems. Structural changes during the disintegration of poly(N-isopropylacrylamide) (PNIPAM) mesoglobules in aqueous solution are studied in situ and in real time using kinetic small-angle neutron scattering with a time resolution of 50 ms. Simultaneously length scales between 1 and 100 nm are resolved. By initiating phase separation through fast pressure jumps across the coexistence line, 3 wt% PNIPAM solutions are rapidly brought into the one-phase state. Starting at the same temperature (35.1 °C) and pressure (17 MPa) the target pressure is varied over the range 25–48 MPa, allowing to systematically alter the osmotic pressure of the solvent within the mesoglobules. Initially, the mesoglobules have a radius of gyration of about 80 nm and contain a small amount of water. Two disintegration mechanisms are identified: (i) for target pressures close to the coexistence line, single polymers are released from the surface of the mesoglobules, and the mesoglobules decrease in size, which takes ∼30 s. (ii) For target pressures more distant from the coexistence line, the mesoglobules are swollen by water, and subsequently the chains become more and more loosely associated. In this case, disintegration proceeds within less than 10 s, controlled by the osmotic pressure of the solvent.

DOI:

Nanoscale ,
2021, 13 (34), 13421-13426.

OPEN ACCESS
Droplet Formation by Chemically Fueled Self-Assembly: The Role of Precursor Hydrophobicity

Niebuur, Bart-Jan | Hegels, Hendrik | Tena-Solsona, Marta | Schwarz, Patrick S. | Boekhoven, Job | Papadakis, Christine M.

DOI:

We investigate active droplets that form at the expense of a chemical fuel in aqueous buffer and vanish autonomously. Dynamic light scattering reveals the scattered intensity, the hydrodynamic radius, and the width of the size distribution with high precision as well as high temporal and spatial resolutions. Comparing the resulting time-dependent behavior of the droplet characteristics with the time-dependent concentration of the anhydrides, the roles of the chemical reaction cycle and of colloidal growth processes are elucidated. The droplet sizes and lifetimes depend strongly on the hydrophobicity of the precursor, and the growth rate is found to correlate with the deactivation rate of the product.

DOI:

The Journal of Physical Chemistry B ,
2021, 125 (49), 13542-13551.

Computational design and optimization of electro-physiological sensors

Nittala, Aditya Shekhar | Karrenbauer, Andreas | Khan, Arshad | Kraus, Tobias | Steimle, Jürgen

DOI:

Electro-physiological sensing devices are becoming increasingly common in diverse applications. However, designing such sensors in compact form factors and for high-quality signal acquisition is a challenging task even for experts, is typically done using heuristics, and requires extensive training. Our work proposes a computational approach for designing multi-modal electro-physiological sensors. By employing an optimization-based approach alongside an integrated predictive model for multiple modalities, compact sensors can be created which offer an optimal trade-off between high signal quality and small device size. The task is assisted by a graphical tool that allows to easily specify design preferences and to visually analyze the generated designs in real-time, enabling designer-in-the-loop optimization. Experimental results show high quantitative agreement between the prediction of the optimizer and experimentally collected physiological data. They demonstrate that generated designs can achieve an optimal balance between the size of the sensor and its signal acquisition capability, outperforming expert generated solutions.

DOI:

Nature Communications ,
2021, 12 (1), 6351.

OPEN ACCESS
Curled cation structures accelerate the dynamics of ionic liquids

Rauber, Daniel | Philippi, Frederik | Kuttich, Björn | Becker, Julian | Kraus, Tobias | Hunt, Patricia | Welton, Tom | Hempelmann, Rolf | Kay, Christopher W. M.

DOI:

Ionic liquids are modern liquid materials with potential and actual implementation in many advanced technologies. They combine many favourable and modifiable properties but have a major inherent drawback compared to molecular liquids – slower dynamics. In previous studies we found that the dynamics of ionic liquids are significantly accelerated by the introduction of multiple ether side chains into the cations. However, the origin of the improved transport properties, whether as a result of the altered cation conformation or due to the absence of nanostructuring within the liquid as a result of the higher polarity of the ether chains, remained to be clarified. Therefore, we prepared two novel sets of methylammonium based ionic liquids; one set with three ether substituents and another set with three butyl side chains, in order to compare their dynamic properties and liquid structures. Using a range of anions, we show that the dynamics of the ether-substituted cations are systematically and distinctly accelerated. Liquefaction temperatures are lowered and fragilities increased, while at the same time cation–anion distances are slightly larger for the alkylated samples. Furthermore, pronounced liquid nanostructures were not observed. Molecular dynamics simulations demonstrate that the origin of the altered properties of the ether substituted ionic liquids is primarily due to a curled ether chain conformation, in contrast to the alkylated cations where the alkyl chains retain a linear conformation. Thus, the observed structure–property relations can be explained by changes in the geometric shape of the cations, rather than by the absence of a liquid nanostructure. Application of quantum chemical calculations to a simplified model system revealed that intramolecular hydrogen-bonding is responsible for approximately half of the stabilisation of the curled ether-cations, whereas the other half stems from non-specific long-range interactions. These findings give more detailed insights into the structure–property relations of ionic liquids and will guide the development of ionic liquids that do not suffer from slow dynamics.

DOI:

Physical Chemistry Chemical Physics ,
2021, 23 21042-21064.

OPEN ACCESS
Particle encapsulation techniques for atom probe tomography of precipitates in microalloyed steels

Webel, Johannes | Weber, Louis | Vardo, Emina | Britz, Dominik | Kraus, Tobias | Mücklich, Frank

DOI:

Atom probe tomography (APT) provides sub-nm resolution in the analysis of complex industrial steels. It can resolve the carbonitride precipitates in Nb-Ti microalloyed high-strength low-alloy (HSLA) steels that strongly affect material performance and illuminate the complex precipitation sequence before and during the thermo-mechanical controlled process (TMCP). However, the precipitate concentration is low in HSLA steels during austenite conditioning, especially at temperatures > 850 °C, so that the probability of detecting precipitates via APT is below 5%. Here, we demonstrate two encapsulation-based approaches that increase the precipitate concentration in the APT sample volume sufficiently to enable the analysis of sparse precipitates. The first method is based on metallographic etching and direct targeting of precipitates in the steel. A focused ion beam was used to mark precipitation sites. Encapsulation with nickel-phosphorus (Ni-P) enabled localized APT and increased the yield by a factor of 10. The second method relies on the chemical extraction of precipitates and subsequent encapsulation in a silicon oxide (SiOx) network at a very high particle density. Analysis of tips cut from the encapsulated particles increased the yield by a factor of >15. We discuss and compare the spatial and chemical accuracy obtained in the analysis of pure Nb-, Ti- and mixed Nb-Ti carbonitrides.

DOI:

Ultramicroscopy ,
2021, 223 113219.

Plasmon-Coupled Gold Nanoparticles in Stretched Shape-Memory Polymers for Mechanical/Thermal Sensing

Yadav, Prachi R. | Rizvi, Mehedi H. | Kuttich, Björn | Mishra, Sumeet R. | Chapman, Brian S. | Lynch, Brian B. | Kraus, Tobias | Oldenburg, Amy L. | Tracy, Joseph B.

DOI:

The organization of plasmonic nanoparticles (NPs) determines the strength and polarization dependence of coupling of their surface plasmons. In this study, plasmon coupling of spherical Au NPs with an average diameter of 15 nm was investigated in shape-memory polymer films before and after mechanical stretching and then after thermally driving shape recovery. Clusters of Au NPs form when preparing the films that exhibit strong plasmon coupling. During stretching, a significant polarization-dependent response develops, where the optical extinction maximum corresponding to the surface plasmon resonance is redshifted by 19 nm and blueshifted by 7 nm for polarization parallel and perpendicular to the stretching direction, respectively. This result can be explained by non-uniform stretching on the nanoscale, where plasmon coupling increases parallel to the shear direction as Au NPs are pulled into each other during stretching. The polarization dependence vanishes after shape recovery, and structural characterization confirms the return of isotropy consistent with complete nanoscale recovery of the initial arrangement of Au NPs. Simulations of the polarized optical responses of Au NP dimers at different interparticle spacings establish a plasmon ruler for estimating the average interparticle spacings within the experimental samples. An investigation of the temperature-dependent recovery behavior demonstrates an application of these materials as optical thermal history sensors.

DOI:

ACS Applied Nano Materials ,
2021, 4 (4), 3911–3921.

A MACEing silicon: Towards single-step etching of defined porous nanostructures for biomedicine

Alhmoud, Hashim | Brodoceanu, Daniel | Elnathan, Roey | Kraus, Tobias | Voelcker, Nicolas H.

DOI:

Metal-assisted chemical etching (MACE) affords porous silicon nanostructures control over size, shape, and porosity in a single step. Simplicity and flexibility are potential advantages over more traditional silicon bulk micromachining techniques. MACE-generated porous micro- and nanostructures are suitable as biomaterials through their length scales and biocompatibility. This work provides a comprehensive overview of the MACE reaction mechanism that yields biomedically relevant silicon nanostructures – from nanowires, nanopillars, to sub-micrometer holes and pores. We discuss their biomedical applications in biosensors, cell capture and transfection arrays, and drug delivery vectors. We assess the reported benefits of the various nanostructures and discuss whether MACE provides clear and distinct advantages over other techniques. The flexibility and simplicity of MACE comes at a cost. The reaction parameters are many and inter-related, and we lack a full model of the etching mechanism. While the cathode reaction is well understood, the anode reaction involving dissolution of the silicon remains controversial. Such uncertainties impede rational design of specific structures that address biomedical requirements. We summarize current understanding to provide design guidelines for structures used in biomedicine and review the effects of key parameters on the morphological attributes of the etched features.

DOI:

Progress in Materials Science ,
2021, 116 100636.

The effect of THF and the chelating modifier DTHFP on the copolymerisation of β-myrcene and styrene: kinetics, microstructures, morphologies, and mechanical properties

Fuchs, Dominik A. H. | Hübner, Hanna | Kraus, Tobias | Niebuur, Bart-Jan | Gallei, Markus | Frey, Holger | Müller, Axel H. E.

DOI:

The statistical anionic copolymerisation of the biobased monomer β-myrcene with styrene in cyclohexane was investigated via in situ near-infrared (NIR) spectroscopy, focusing on the influence of the modifiers (i.e., Lewis bases) tetrahydrofuran (THF) and 2,2-di(2-tetrahydrofuryl)propane (DTHFP) on the reactivity ratios. With increasing [modifier]/[Li] ratio, the reactivity ratios in the system myrcene/styrene are adjustable from rS ≪ rMyr via rS ≈ rMyr to rS ≫ rMyr. The bidentate modifier DTHFP affects the reactivity ratios much more than THF: minute amounts only (0.35 equivalent relative to Li) are required to randomize the copolymer, and one equivalent to invert the reactivity ratios. Using these reactivity ratios, copolymer composition profiles are obtained, which upon increasing the modifier concentration vary from tapered, block-like copolymers to random to inversely tapered copolymers. 1H-NMR spectroscopy was used to determine the microstructure of the myrcene units in the copolymers. With increasing [modifier]/[Li] ratio, the content of 1,4-units decreases and the content of 3,4- and 1,2-units increases. DTHFP as a modifier minimizes the content of 1,2-units. The glass transition temperatures also depend on the [modifier]/[Li] ratio, but less strongly than in the copolymer poly(styrene-co-isoprene). Although all copolymers have the same composition (33%mol myrcene, corresponding to 39.6%weight and 45%vol), very similar molecular weights (about 90 kg mol−1) and low dispersities (1.06 to 1.10), different morphologies could be obtained. Lamellar, cylindrical and gyroid structures were identified by TEM and SAXS measurements. The mechanical properties vary in a wide range from hard and brittle to soft and flexible. The gyroid structure showed the highest Young's modulus and no viscoelastic deformation.

DOI:

Polymer Chemistry ,
2021, 12 (32), 4632-4642.

Temperature Variation Enables the Design of Biobased Block Copolymers via One-Step Anionic Copolymerization

Bareuther, Jennifer | Plank, Martina | Kuttich, Björn | Kraus, Tobias | Frey, Holger | Gallei, Markus

DOI:

Abstract A one-pot approach for the preparation of diblock copolymers consisting of polystyrene and polymyrcene blocks is described via a temperature-induced block copolymer (BCP) formation strategy. A monomer mixture of styrene and myrcene is employed. The unreactive nature of myrcene in a polar solvent (tetrahydrofuran) at −78 °C enables the sole formation of active polystyrene macroinitiators, while an increase of the temperature (−38 °C to room temperature) leads to poly(styrene-block-myrcene) formation due to polymerization of myrcene. Well-defined BCPs featuring molar masses in the range of 44–117.2 kg mol−1 with dispersities, Ð, of 1.09–1.21, and polymyrcene volume fractions of 30–64% are accessible. Matrix assisted laser desorption ionization-time of flight mass spectrometry measurements reveal the temperature-controlled polymyrcene block formation, while both transmission electron microscopy and small-angle X-ray scattering measurements prove the presence of clearly microphase-separated, long range-ordered domains in the block copolymers. The temperature-controlled one-pot anionic block copolymerization approach may be general for other terpene-diene monomers.

DOI:

Macromolecular Rapid Communications ,
2021, 42 (8), 2000513.