University of Stuttgart

Charge-sensitive vibrational modes in BEDT-TTF salts: Signatures of charge ordering and site charge

BEDT-TTF-based organic conductors host a number of ground states, tuned by electron repulsion. Knowledge of the charge distribution on the molecular sites in these materials is key to understanding the origin of different ground states. We survey and discuss the C=C stretching mo...

Charge Storage and Dark Photocatalysis in Multivariate Ti‐Based Metal‐Organic Frameworks

ABSTRACT “Dark photocatalysis” decouples electron storage from photoconversion, offering a promising route to buffer solar intermittency, however requiring precise control of light‐matter interactions. Metal–organic frameworks (MOFs) provide a platform to tailor these interaction...

A harmonically coupled-anharmonic-oscillator approach for polyatomic chemistry modeling in DSMC

Atmospheric entry processes are characterized by high-enthalpy gas flows in strong thermo-chemical non-equilibrium. Accurate simulations of such conditions remain challenging due to the extreme conditions and the complex influence of internal energy modes. In particular, the comm...

Getting the Big Ones to Pack: Crystal Structure of Vitamin K 2 With a Chaperone

ABSTRACT Packing into a crystal lattice is not easy for flexible molecules with an irregular shape, as all molecules have to adopt the same conformation in order to fit into the same position of a well‐ordered lattice. When numerous conformations are populated at the crystallizat...

Substrate tuning of the structural and electronic transition in thin flakes of the excitonic insulator candidate Ta2NiSe5

Abstract Ta 2 NiSe 5 continues to draw interest for its T c = 326 K phase transition, whose dual electronic and structural nature reflects a complex interplay of electron-hole (excitonic) and electron-lattice interactions. The majority of studies that have attempted to decipher t...

Convergence Analysis of a Greedy Algorithm for Conditioning Gaussian Random Variables

Abstract In the context of Gaussian conditioning, greedy algorithms iteratively select the most informative measurements, given an observed Gaussian random variable. However, the convergence analysis for conditioning Gaussian random variables remains an open problem. We address t...

Closing the Loop: High‐Precision 3D Photofabrication in Living Tissues

ABSTRACT Multiphoton absorption enables three‐dimensional fabrication of photoresists ranging from ceramics to hydrogels and has recently been extended to the writing of microstructures within the dermis, muscle, and brain of living animals. However, an intrinsic difficulty preve...

Direct Light Storage with Controlled Dark Release in a Bipyridine-Based Covalent Triazine Framework

Abstract Utilizing bifunctional materials capable of direct light-to-charge storage offers an attractive strategy to overcome solar intermittency and enable reliable power supply under dark conditions. Reported bifunctional materials are predominantly based on metal oxides and me...

Precise Nanoscale Mapping of Electric Fields Across Random Grain Boundaries in Polycrystalline Oxides Using Precession‐Assisted 4D‐STEM

ABSTRACT Space charge layers (SCLs) at grain boundaries play a crucial role in modulating electric fields and thereby influence functional properties of materials. However, experimental analysis of these localized electric fields and the corresponding charge distribution remains...

Simulation study of a dual facade-integrated adsorption system for demand responsive solar cooling of buildings

The electricity demand for space cooling will increase significantly over the coming decades. At the same time, building related CO2-emissions are to be reduced for climate protection. In this context, an innovative facade-integrated adsorption system for solar cooling of buildin...

Supporting AI Readiness Through Digital Workflows in Materials Science

Materials science produces heterogeneous data across experiments, simulations, and industrial processes that often remain bound to local formats, manual procedures, and project‐specific software. Digital workflows address this fragmentation through explicit, repeatable, and machi...

Cassini CDA observes compositional segregation of Enceladus’ ice grains from slow freezing and fragmentation of oceanic spray

Salt-rich ice particles, termed Type 3, are a major compositional group within Enceladus’ plume and Saturn’s E ring and are thought to represent frozen micrometer-sized aerosolized droplets of Enceladus’ salty subsurface ocean. Here, we present an analysis on the basis of ≈1000 m...

Conditioning of Banach space valued Gaussian random variables: An approximation approach based on martingales

We investigate the conditional distributions of two Banach space valued, jointly Gaussian random variables. In particular, we show that these conditional distributions are again Gaussian and that their means and covariances can be determined by a general finite-dimensional approx...

On the Computation of Crack Surface Normals in the Phase‐Field Model of Hydraulic Fracture

ABSTRACT Hydraulic fracturing techniques have been used to extract oil from the Earth's crust and to enhance the efficiency of geothermal systems among other applications. Numerical simulation of hydraulic fracturing is essential for predicting the environmental impact of this me...

A superheterodyne 300 GHz receiver and transmitter chip set with high bandwidth and efficiency performance

Abstract This paper presents a superheterodyne receiver and transmitter chip set with high bandwidth and efficiency suitable for superheterodyne communication systems. The operating range for the intermediate frequency is optimized for 60–90 GHz but extends beyond this frequency...

From Caesar to RSA: A CAMMP‐Based Encryption Workshop for High‐School Classes

ABSTRACT Encryption has been, and remains, a topic of enduring relevance, reflecting humanity's persistent desire for secure communication. This 3‐hour workshop, developed within the CAMMP framework, aims to introduce participants to the principles of secure communication while f...

A p-adaptive hybridizable discontinuous Galerkin spectral element method for electrostatic particle-in-cell simulations

This paper extends the high-order hybridizable discontinuous Galerkin spectral element method (HDG-SEM) for electrostatic particle-in-cell (PIC) simulations developed by Pfeiffer et al. (2019) to support p-adaptation. This approach enables element-local refinement of the polynomi...

On Hyperbolic Approximations for a Class of Dispersive and Diffusive-Dispersive Equations

Abstract We introduce novel approximate systems for dispersive and diffusive-dispersive equations with nonlinear fluxes. For purely dispersive equations, we construct a first-order, strictly hyperbolic approximation. Local well-posedness of smooth solutions is achieved by constru...

Chiral Rh Diene NHC Complexes and Their Application in Rh-Catalyzed Cycloisomerization of Enynes

Abstract Chiral dienes and N-heterocyclic carbenes (NHC) are important ligands for transition-metal catalysis. Surprisingly, both ligand classes are rarely employed together in Rh complexes. To get more detailed insight into the interaction between NHC and diene ligand simultaneo...

Altermagnetic spin textures: Emergent electrodynamics, quantum geometry, and probes

Emergent electrodynamics arising from spatially and temporally varying magnetic textures provides a framework for spin control in quantum materials. While this principle is established for ferromagnetic and antiferromagnetic textures, its consequences for altermagnets—magnetic or...