Publications by Piyush Agrawal

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Artur Braun, Xinyu Zhang, Daniele Passerone, Piyush Agrawal

We present a joint theoretical and experimental study of the oxygen K-edge spectra for LaFeO3 and homovalent Ni-substituted LaFeO3 (LaFe0.75Ni0.25O3), using first-principles simulations based on density-functional theory with extended Hubbard functionals a ...

AMER PHYSICAL SOC2020

Structure and properties of edge dislocations in BiFeO3

Cécile Hébert, Daniele Passerone, Rolf Erni, Piyush Agrawal

Edge dislocations are frequently found in epitaxial BiFeO3 multiferroic thin films and are expected to exhibit distinctive and localized magnetoelectric properties. However, an exhaustive characterization of these dislocations at the atomic level has to da ...

AMER PHYSICAL SOC2019

Characterization at the Atomistic Level of Defective Structures in Complex Materials : A Theoretical Study

Piyush Agrawal

Defects are key to enhance or deploy particular materials properties. In this thesis I present analyses of the impact of defects on the electronic structure of materials using combined experimental and theoretical Electron energy loss spectroscopy (EELS) i ...

EPFL2017

Direct Evidence of Surface Reduction in Monoclinic BiVO4

Cécile Hébert, Daniele Passerone, Rolf Erni, Piyush Agrawal

Local measurements of the oxidation state of vanadium in monoclinic BiVO4 particles by means of electron energy-loss spectroscopy in scanning transmission electron microscopy reveal a pronounced surface reduction: within a 5-nm-thick shell, the oxidation s ...

Amer Chemical Soc2015