No abstract

Li-Intercalation in nano-rutile TiO2-anodes induces loss of long-range order with the formation of ∼5 nm layered LixTiO2 domains with ∼1 nm columbite-like grain boundaries.

The current work employs a phase-field model to test the stability of nanoscale periodic domain patterns, and to explore the application of one pattern in an energy harvester device. At first, the stability of several periodic domain patterns with in-plane polarizations is tested under stress-free and electric field-free conditions. It is found that simple domain patterns with stripe-like features are stable, while patterns with more complex domain configurations are typically unstable at the nanoscale. Upon identifying a stable domain pattern with suitable properties, a conceptual design of a thin film energy harvester device is explored. The harvester is modelled as a thin ferroelectric film bound to a substrate. In the initial state a periodic stripe domain pattern with zero net charge on the top electrode is modelled. On bending the substrate, a mechanical strain is induced in the film, causing polarized domains to undergo ferroelectric switching and thus generate electrical energy. The results demonstrate the working cycle of a conceptual energy harvester which, on operating at kHz frequencies, such as from vibrations in the environment, could produce an area power density of about 40W/m 2 .

The concept of a nano-actuator that uses ferroelectric switching to generate enhanced displacements is explored using a phase-field model. The actuator has a ground state in the absence of applied electric field that consists of polarized domains oriented to form a flux closure. When electric field is applied, the polarization reorients through ferroelectric switching and produces strain. The device is mechanically biased by a substrate and returns to the ground state when electric field is removed, giving a repeatable actuation cycle. The mechanical strains which accompany ferroelectric switching are several times greater than the strains attained due to the piezoelectric effect alone. We also demonstrate a second design of actuator in which the displacements are further increased by the bending of a ferroelectric beam. Phase-field modelling is used to track the evolution of domain patterns in the devices during the actuation cycle, and to study the design parameters so as to enhance the achievable actuation strains.