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2017 ; 8
(ä): 15682
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Designing lead-free antiferroelectrics for energy storage
#MMPMID28555655
Xu B
; Íñiguez J
; Bellaiche L
Nat Commun
2017[May]; 8
(ä): 15682
PMID28555655
show ga
Dielectric capacitors, although presenting faster charging/discharging rates and
better stability compared with supercapacitors or batteries, are limited in
applications due to their low energy density. Antiferroelectric (AFE) compounds,
however, show great promise due to their atypical polarization-versus-electric
field curves. Here we report our first-principles-based theoretical predictions
that Bi(1-x)R(x)FeO(3) systems (R being a lanthanide, Nd in this work) can
potentially allow high energy densities (100-150?J?cm(-3)) and efficiencies
(80-88%) for electric fields that may be within the range of feasibility upon
experimental advances (2-3?MV?cm(-1)). In addition, a simple model is derived to
describe the energy density and efficiency of a general AFE material, providing a
framework to assess the effect on the storage properties of variations in doping,
electric field magnitude and direction, epitaxial strain, temperature and so on,
which can facilitate future search of AFE materials for energy storage.