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Phase engineering of MoS$_2$ monolayers: A pathway to enhanced lithium-polysulfide battery performance
This study explores the potential of MoS$_2$ polymorphs, specifically the semiconducting 2H phase and the metallic 1T$^\prime$ phase, as anchoring materials to enhance the electrochemical performance of lithium-sulfur (Li--S) batteries. Using density functional theory calculations, we show that 1T$^\prime$-MoS$_2$ exhibits stronger Li--S interactions, greater charge transfer, and enhanced catalytic activity compared to its 2H counterpart, effectively suppressing polysulfide dissolution and faci…

Il datore di lavoro può raccogliere i log di navigazione e i metadati delle mail dei dipendenti solo in presenza di specifiche condizioni e garanzie.
Il provvedimento del #GarantePrivacy è stato deliberato al termine di un ciclo ispettivo sui trattamenti dei dati dei dipendenti

Using Large Language Models for Legal Decision-Making in Austrian Value-Added Tax Law: An Experimental Study
Marina Luketina, Andrea Benkel, Christoph G. Schuetz
https://arxiv.org/abs/2507.08468

Using Large Language Models for Legal Decision-Making in Austrian Value-Added Tax Law: An Experimental Study
This paper provides an experimental evaluation of the capability of large language models (LLMs) to assist in legal decision-making within the framework of Austrian and European Union value-added tax (VAT) law. In tax consulting practice, clients often describe cases in natural language, making LLMs a prime candidate for supporting automated decision-making and reducing the workload of tax professionals. Given the requirement for legally grounded and well-justified analyses, the propensity of L…

Prediction of synthesis parameters for N, Si, Ge and Sn diamond vacancy centers using machine learning
Zhi Jiang, Marco Peres, Carlo Bradac, Gil Gon\c{c}alves
https://arxiv.org/abs/2507.02808

Prediction of synthesis parameters for N, Si, Ge and Sn diamond vacancy centers using machine learning
Diamond and diamond color centers have become prime hardware candidates for solid state-based technologies in quantum information and computing, optics, photonics and (bio)sensing. The synthesis of diamond materials with specific characteristics and the precise control of the hosted color centers is thus essential to meet the demands of advanced applications. Yet, challenges remain in improving the concentration, uniform distribution and quality of these centers. Here we perform a review and me…

Effect of Co partitioning to the {\gamma} matrix on the microstructural stablity of a Ti-rich Ni-Base Superalloy
Sudeepta Mukherjee, Hemant Kumar, B. S. Murty, Satyam Suwas, Surendra Kumar Makineni
https://arxiv.org/abs/2507.15447

Effect of Co partitioning to the γ matrix on the microstructural stablity of a Ti-rich Ni-Base Superalloy
The microstructural stability and mechanical properties of superalloys at high temperatures are significantly influenced by the composition and nature of the solutes they contain. Most of the alloys with high solvus temperature have higher gamma prime coarsening resistance, while the larger lattice misfit is attributed to higher gamma prime coarsening rate. In this work, we explore the influence of Co on the microstructure evolution, thermophysical/mechanical properties and gamma prime precipit…

High-speed quantitative nanomechanical mapping by photothermal off-resonance atomic force microscopy
Hans Gunstheimer, Gotthold Fl\"aschner, Jonathan D. Adams, Hendrik H\"olscher, Bart W. Hoogenboom
https://arxiv.org/abs/2506.16226

High-speed quantitative nanomechanical mapping by photothermal off-resonance atomic force microscopy
Atomic force microscopy (AFM) is widely used to measure surface topography of solid, soft, and living matter at the nanoscale. Moreover, by mapping forces as a function of distance to the surface, AFM can provide a wealth of information beyond topography, with nanomechanical properties as a prime example. Here we present a method based on photothermal off-resonance tapping (PORT) to increase the speed of such force spectroscopy measurements by at least an order of magnitude, thereby enabling hi…

Kinetics of Vacancy-Assisted Reversible Phase Transition in Monolayer MoTe$_2$
Fei Shuang, Daniel Ocampo, Reza Namakian, Arman Ghasemi, Poulumi Dey, Wei Gao
https://arxiv.org/abs/2507.12565

Kinetics of Vacancy-Assisted Reversible Phase Transition in Monolayer MoTe$_2$
We investigate the kinetics of phase transition between the 2H and 1T$^\prime$ phases in monolayer MoTe$_2$ using atomistic simulations based on a machine learning interatomic potential trained on SCAN-DFT data, combined with mean field kinetic theory to interpret the underlying mechanisms. The transition is found to involve both diffusive and diffusionless mechanisms. Nucleation of 1T$^\prime$ phase is initiated by the coalescence of neighboring Te monovacancies into divacancies, which are fou…

Electron-phonon couplings in locally disordered materials: The case of hybrid halide perovskites
Marios Zacharias, George Volonakis, Laurent Pedesseau, Claudine Katan, Feliciano Giustino, Jacky Even
https://arxiv.org/abs/2506.09673

Electron-phonon couplings in locally disordered materials: The case of hybrid halide perovskites
Positional polymorphism in solids refers to distributions of correlated locally disordered unit cells which reflect, on average, the high-symmetry structure observed in diffraction experiments. The standard theory of electron-phonon interactions is unable to account for the temperature-dependent electronic structure of polymorphous materials. A prime example of such materials is hybrid halide perovskites, for which calculations of band gaps at finite temperatures do not agree with experiment. H…