Designing lead-free antiferroelectrics for energy storage
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...
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| Published in | Nature communications Vol. 8; no. 1; p. 15682 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
London
Nature Publishing Group UK
30.05.2017
Nature Publishing Group Nature Portfolio |
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| Online Access | Get full text |
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| Abstract | 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.
Antiferroelectric capacitors hold great promise for high-power energy storage. Here, through a first-principles-based computational approach, authors find high theoretical energy densities in rare earth substituted bismuth ferrite, and propose a simple model to assess the storage properties of a general antiferroelectric material. |
|---|---|
| AbstractList | 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
R
FeO
systems (R being a lanthanide, Nd in this work) can potentially allow high energy densities (100-150 J cm
) and efficiencies (80-88%) for electric fields that may be within the range of feasibility upon experimental advances (2-3 MV cm
). 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. 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. Antiferroelectric capacitors hold great promise for high-power energy storage. Here, through a first-principles-based computational approach, authors find high theoretical energy densities in rare earth substituted bismuth ferrite, and propose a simple model to assess the storage properties of a general antiferroelectric material. Antiferroelectric capacitors hold great promise for high-power energy storage. Here, through a first-principles-based computational approach, authors find high theoretical energy densities in rare earth substituted bismuth ferrite, and propose a simple model to assess the storage properties of a general antiferroelectric material. 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 Bi1-x Rx FeO3 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. 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 Bi1-xRxFeO3 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. 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. |
| ArticleNumber | 15682 |
| Author | Xu, Bin Bellaiche, L. Íñiguez, Jorge |
| Author_xml | – sequence: 1 givenname: Bin orcidid: 0000-0002-0107-0727 surname: Xu fullname: Xu, Bin email: binxu@uark.edu organization: Physics Department and Institute for Nanoscience and Engineering, University of Arkansas – sequence: 2 givenname: Jorge surname: Íñiguez fullname: Íñiguez, Jorge organization: Materials Research and Technology Department, Luxembourg Institute of Science and Technology (LIST) – sequence: 3 givenname: L. surname: Bellaiche fullname: Bellaiche, L. email: laurent@uark.edu organization: Physics Department and Institute for Nanoscience and Engineering, University of Arkansas |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/28555655$$D View this record in MEDLINE/PubMed https://www.osti.gov/servlets/purl/1532912$$D View this record in Osti.gov |
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| Snippet | Dielectric capacitors, although presenting faster charging/discharging rates and better stability compared with supercapacitors or batteries, are limited in... Antiferroelectric capacitors hold great promise for high-power energy storage. Here, through a first-principles-based computational approach, authors find high... |
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| Title | Designing lead-free antiferroelectrics for energy storage |
| URI | https://link.springer.com/article/10.1038/ncomms15682 https://www.ncbi.nlm.nih.gov/pubmed/28555655 https://www.proquest.com/docview/1903474016 https://search.proquest.com/docview/1903941356 https://www.osti.gov/servlets/purl/1532912 https://pubmed.ncbi.nlm.nih.gov/PMC5499206 https://doaj.org/article/a0630b610f7047be8e27681e3ea41f29 |
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