Electrical energy storage systems (EESSs) with high energy density and power density are
essential for the effective miniaturization of future electronic devices. Among different EESSs …

Abstract Development of efficient, low cost and multifunctional electrocatalysts for water
splitting to harvest hydrogen fuels is a challenging task, but the combination of carbon …

Despite being applied with success in many fields of materials science, Raman
spectroscopy is not yet determinant in the study of electroceramics. Recent experimental …

Interpreting Raman and IR vibrational spectra in complex organic molecules lacking
symmetries poses a formidable challenge. In this study, we propose an innovative approach …

Raman spectroscopy is an important characterization tool with diverse applications in many
areas of research. We propose a machine learning (ML) method for predicting …

It is well known that disordered relaxor ferroelectrics exhibit local polar correlations. The
origin of localized fields that disrupt long‐range polar order for different substitution types …

Inducing and detecting the polar orthorhombic phase are crucial for the establishment of
ferroelectricity in HfO2‐and ZrO2‐based thin films. Unfortunately, commonly used structural …

We employ terahertz-range temperature-dependent Raman spectroscopy and first-
principles lattice dynamical calculations to show that the undoped sodium ion conductors …

Infrared and Raman spectroscopies are ubiquitous techniques employed in many
experimental laboratories, thanks to their fast and non-destructive nature able to capture …

We present a first-principles study of the low-temperature rhombohedral phase of BaTiO 3
using Hubbard-corrected density-functional theory. By employing density-functional …