Defect-interface interactions

IJ Beyerlein, MJ Demkowicz, A Misra… - Progress in Materials …, 2015 - Elsevier
Nanostructured materials contain an extremely high density of interfaces. The properties of
these materials when exposed to extreme conditions of radiation dose, stress, deformation …

The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency

BP Uberuaga, LJ Vernon, E Martinez, AF Voter - Scientific reports, 2015 - nature.com
Nanocrystalline materials have received great attention due to their potential for improved
functionality and have been proposed for extreme environments where the interfaces are …

Radiation endurance in Al2O3 nanoceramics

F García Ferré, A Mairov, L Ceseracciu, Y Serruys… - Scientific Reports, 2016 - nature.com
The lack of suitable materials solutions stands as a major challenge for the development of
advanced nuclear systems. Most issues are related to the simultaneous action of high …

Beyond coherent oxide heterostructures: atomic‐scale structure of misfit dislocations

PP Dholabhai, BP Uberuaga - Advanced Theory and …, 2019 - Wiley Online Library
Nanoscale design of complex oxide heterostructures and thin films is imperative as they
have significant promise in novel technological applications. A coherent interface is formed …

High-throughput prediction of thermodynamic stabilities of dopant-defect clusters at misfit dislocations in perovskite oxide heterostructures

C Marzano, PP Dholabhai - The Journal of Physical Chemistry C, 2023 - ACS Publications
Complex oxide heterostructures and thin films have emerged as promising candidates for
diverse applications, wherein interfaces formed by joining two different oxides play a central …

Interface-engineered non-volatile visible-blind photodetector for in-sensor computing

G Li, D **e, Q Zhang, M Zhang, Z Liu, Z Wang… - Nature …, 2025 - nature.com
Ultraviolet (UV) detection is extensively used in a variety of applications. However, the
storage and processing of information after detection require multiple components, resulting …

Influence of misfit dislocations on ionic conductivity at oxide interfaces

W Ebmeyer, P Hatton, BP Uberuaga… - Journal of Materials …, 2024 - pubs.rsc.org
Mismatched complex oxide thin films and heterostructures have gained significant traction
for use as electrolytes in intermediate temperature solid oxide fuel cells, wherein interfaces …

High-throughput prediction of oxygen vacancy defect migration near misfit dislocations in SrTiO 3/BaZrO 3 heterostructures

W Ebmeyer, PP Dholabhai - Materials Advances, 2024 - pubs.rsc.org
Among their numerous technological applications, semi-coherent oxide heterostructures
have emerged as promising candidates for applications in intermediate temperature solid …

Interface energies of nanocrystalline doped ceria: effects of manganese segregation

L Wu, JA Aguiar, PP Dholabhai… - The Journal of …, 2015 - ACS Publications
The thermodynamics of nanoparticles is strongly dependent on their surface energy as it
accounts for a large fraction of the total atomic volume. Grain boundary energies are equally …

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

PP Dholabhai, G Pilania, JA Aguiar, A Misra… - Nature …, 2014 - nature.com
Exploiting the promise of nanocomposite oxides necessitates a detailed understanding of
the dislocation structure at the interfaces, which governs diverse and technologically …