Publications associées à First-Principles Thermodynamics of CsSnI3

Publications associées (32)

Nonequilibrium Dynamics of Long-Range Interacting Fermions

Tabea Nelly Clara Bühler, Jean-Philippe Brantut, Victor Youri Helson, Timo Zwettler, Aurélien Hadrien Fabre, Gaia Stella Bolognini, Giulia Del Pace

A fundamental problem of out-of-equilibrium physics is the speed at which the order parameter grows upon crossing a phase transition. Here, we investigate the ordering dynamics in a Fermi gas undergoing a density-wave phase transition induced by quenching ...

American Physical Society2025

Narrow‐Linewidth Emission and Weak Exciton‐Phonon Coupling in 2D Layered Germanium Halide Perovskites

Christophe Moser, Sascha Feldmann

The photophysical properties of low‐dimensional metal‐halide semiconductors and their tunability make them promising candidates for light‐absorbing and emitting applications. Yet, the germanium‐based halide perovskites to date lack desirable light‐emitting ...

Wiley2025

Rational Optimization of D3r/gsk-3(3 Dual Target-directed Ligands as Potential Treatment for Bipolar Disorder: Design, Synthesis, X-ray Crystallography, Molecular Dynamics Simulations, In Vitro Adme, And In Vivo Pharmacokinetic Studies

Andrea Cavalli

Bipolar disorder is a complex neuropsychiatric condition with a significant unmet medical need, as current treatments lack disease-modifying properties and multimodal therapeutic effects. To overcome the limitations of single-target drugs, we designed dual ...

ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER2025

First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

Anirudh Raju Natarajan

Materials for high -temperature environments are actively being investigated for deployment in aerospace and nuclear applications. This study uses computational approaches to unravel the crystallography and thermodynamics of a promising class of refractory ...

Pergamon-Elsevier Science Ltd2024

Pizza Oven Processing of Organohalide Perovskites (POPOP): A Simple, Versatile and Efficient Vapor Deposition Method

Christophe Ballif, Christian Michael Wolff, Kerem Artuk, Cédric Bucher, Deniz Türkay, Austin George Kuba, Quentin Jean-Marie Armand Guesnay, Nicolas Fürst

Hybrid vapor deposition is one of the most appealing processes for perovskite photovoltaics fabrication, thanks to its versatile nature. By using sequentially different vapor deposition processes tailored to the inorganic and organic perovskite precursors' ...

Wiley-V C H Verlag Gmbh2024

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Achille Mauri

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

Molecular intercalation in the van der Waals antiferromagnets FePS3 and NiPS3

Bruce Normand

We have performed electrochemical treatment of the van der Waals antiferromagnetic materials FePS3 and NiPS3 with the ionic liquid EMIM-BF4, achieving significant molecular intercalation. Mass analysis of the intercalated compounds, EMIMx-FePS3 and EMIMx-N ...

Amer Physical Soc2024

Computational fluid dynamics simulations of the heat transfer properties of graphene-based nanolubricants and application to hydrodynamic lubrication

Roberto Guarino

In this paper, we consider experimental data available for graphene-based nanolubricants to evaluate their convective heat transfer performance by means of computational fluid dynamics (CFD) simulations. Single-phase models with temperature-dependent prope ...

Aip Publishing2024

Pyroresistive response of percolating conductive polymer composites

Claudio Grimaldi

The pyroresistive response of conductive polymer composites (CPCs) has attracted much interest because of its potential applications in many electronic devices requiring a significant responsiveness to changes in external physical parameters such as temper ...

Amer Physical Soc2024

Turbulence and Heat exchange in the Near-Surface Boundary Layer over Patchy Snow

Michael Haugeneder

The atmospheric layer adjacent to the earth's surface is of crucial importance for weather models due to the exchange of energy between the surface and the atmosphere. This exchange is dependent on the various surface properties and influences the state of ...

EPFL2024

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Michael Graetzel, Jovana Milic, Joachim Maier, Algirdas Ducinskas

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Royal Society of Chemistry2024

Magneto-Thermoelectric Transport in Graphene Quantum Dot with Strong Correlations

Oleksandr Kriuchkov

Disorder at etched edges of graphene quantum dots (GQD) enables random all-to-all interactions between localized charges in partially filled Landau levels, providing a potential platform to realize the Sachdev-Ye-Kitaev (SYK) model. We use quantum Hall edg ...

2024

Tracking deep-level defects in degrading perovskite solar cells with a multifactorial approach

Vivek Subramanian

In this work, we provide a mechanistic understanding of the degradation of perovskite solar cells in operation by focusing on methylammonium lead triiodide (CH3NH3PbI3 or MAPbI3) and tracking the evolution of electronic defects via photo-induced current tr ...

Elsevier2024

Towards Scalable Electronics: Synthetic 2D Materials for Large-Area 2D Circuit Integration

Zhenyu Wang

In the past decades, a significant increase of the transistor density on a chip has led to exponential growth in computational power driven by Moore's law. To overcome the bottleneck of traditional von-Neumann architecture in computational efficiency, effo ...

EPFL2024

Local vs. cooperative: Unraveling glass transition mechanisms with SEER

Matthieu Wyart, Wencheng Ji

Which phenomenon slows down the dynamics in supercooled liquids and turns them into glasses is a long-standing question of condensed matter. Most popular theories posit that as the temperature decreases, many events must occur in a coordinated fashion on a ...

National Academy of Sciences2024

A novel fatigue life prediction methodology based on energy dissipation in viscoelastic materials, synergistic effects of stress level, stress ratio, and temperature

Thomas Keller, Lulu Liu, Abdolvahid Movahedirad

This work introduces a new methodology to predict the fatigue life of viscoelastic materials by considering the creep effect on fatigue behavior under the concurrent effects of stress level, stress ratio, and temperature. The model established based on the ...

2024

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Piezoelectric Properties of BiFeO3 Exposed to High Temperatures

Dragan Damjanovic

BiFeO3 is a ferroelectric with a Curie temperature of 830 C-degrees, however, its piezoelectric performance at high temperature remains unclear. The current work reveals a disappearance/recovery of piezoelectricity in BiFeO3 at elevated temperature and upo ...

Wiley-V C H Verlag Gmbh2024

Mapping orthorhombic domains with geometrical phase analysis in rare-earth nickelate heterostructures

Duncan Thomas Lindsay Alexander, Bernat Mundet

Most perovskite oxides belong to the Pbnm space group, composed of an anisotropic unit cell, A-site antipolar displacements, and oxygen octahedral tilts. Mapping the orientation of the orthorhombic unit cell in epitaxial heterostructures that consist of at ...

Aip Publishing2024

Performance of energy piles foundation in hot-dominated climate: A case study in Dubai

Lyesse Laloui, Elena Ravera, Sofie Elaine ten Bosch

Energy piles represent an innovative technology that can help provide sustainable geothermal heating or cooling energy for thermal conditioning purposes. In hot-dominated climates, the interest is to inject heat in the ground and extract energy for space-c ...

Pergamon-Elsevier Science Ltd2024