Recent worldwide interest in building a decentralized, hydrogen-based energy economy
has refocused attention on the solid oxide fuel cell (SOFC) as a potential source of efficient …

Layered cathode materials (LCMs), because of their high energy density and relatively
stable performance, represent an important class of cathode materials for alkali metal ion …

Chemical and mechanical properties interplay on the nanometric scale and collectively
govern the functionalities of battery materials. Understanding the relationship between the …

We use first-principles calculations to investigate the stability of biaxially strained Pnma
perovskite CaMnO 3 towards the formation of oxygen vacancies. Our motivation is provided …

Atomic scale computer simulations, validated with experimental data, are used to uncover
the factors responsible for defect‐induced chemical expansion observed in non …

The fields of brain‐inspired computing, robotics, and, more broadly, artificial intelligence (AI)
seek to implement knowledge gleaned from the natural world into human‐designed …

Optimization of electrical, optical, mechanical, and other properties of many advanced,
functional materials today relies on precise control of point defects. This article illustrates the …

Resistive switching in transition metal oxides involves intricate physical and chemical
behaviours with potential for non-volatile memory and memristive devices. Although oxygen …

The development of interface-based magnetoelectric devices necessitates an
understanding of polarization-mediated electronic phenomena and atomistic polarization …

Oxygen vacancy distributions and dynamics directly control the operation of solid-oxide fuel
cells and are intrinsically coupled with magnetic, electronic and transport properties of …