Publication

First-Principles Thermodynamics of CsSnI3

Publications associées (58)

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

Brokering between tenants for an international materials acceleration platform

Giovanni Pizzi, Ivano Eligio Castelli, Francisco Fernando Ramirez

The efficient utilization of resources in accelerated materials science necessitates flexible, reconfigurable software-defined research workflows. We demonstrate a brokering approach to modular and asynchronous research orchestration to integrate multiple ...
CELL PRESS2023

Charge multipole correlations and order in Cs2TaCl6

Henrik Moodysson Rønnow, Ivica Zivkovic, Jian Rui Soh, Jana Pásztorová

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...
AMER PHYSICAL SOC2023

Dissipation-Driven Selection under Finite Diffusion: Hints from Equilibrium and Separation of Time Scales

Paolo De Los Rios, Daniel Maria Busiello, Shiling Liang

When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available energy, might be do ...
MDPI2021

How free exciton-exciton annihilation lets bound exciton emission dominate the photoluminescence of 2D-perovskites under high-fluence pulsed excitation at cryogenic temperatures

Michael Graetzel, Jovana Milic, Yang Li, Algirdas Ducinskas

Photoluminescence (PL) spectra of atomically thin 2D lead iodide perovskite films are shown to depend on excited-state density, especially at cryogenic temperatures. At high excited-state densities and low temperatures, free exciton (FE) emission is so sup ...
AMER INST PHYSICS2021

Quantifying Photoinduced Polaronic Distortions in Inorganic Lead Halide Perovskite Nanocrystals

Majed Chergui, Nicola Colonna, Oliviero Cannelli, Michele Puppin, Giulia Fulvia Mancini, Thomas Charles Henry Rossi, Andre Al Haddad, Dominik Kinschel, James Michael Budarz, Ludmila Maria Diniz Leroy

The development of next-generation perovskite-based optoelectronic devices relies critically on the understanding of the interaction between charge carriers and the polar lattice in out-of-equilibrium conditions. While it has become increasingly evident fo ...
2021

Thermal coarsening of individual titanate nanowires and their assemblies: Surface vs. bulk diffusion

László Forró, Luca Rossi, Endre Horvath, Sergiy Katrych, Massimo Spina, Laurent Syavoch Bernard, Xavier Berdat

The thermal coarsening of titanate nanowires was investigated from room temperature to 1000 degrees C by AFM, SEM, XRD and Raman spectroscopy. Phase transformation kinetics and the external morphology were studied in two configurations: i) as individual an ...
2020

Why choosing the right partner is important: stabilization of ternary Cs(y)GUA(x)FA((1-y-x))PbI(3)perovskites

Ursula Röthlisberger, Marko Mladenovic, Ariadni Boziki

Lead halide perovskites with mixtures of monovalent cations have attracted wide attention due to the possibility of preferentially stabilizing the perovskite phase with respect to photovoltaically less suitable competing phases. Here, we present a theoreti ...
ROYAL SOC CHEMISTRY2020

Structure and superconductivity in the binary Re1-xMox alloys

Joël Mesot

The binary Re1-xMox alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and ...
AMER PHYSICAL SOC2019

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.