Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design

Huajie Luo; Zheng Sun; Ji Zhang; Hailong Xie; Yonghao Yao; Tianyu Li; Chenjie Lou; Huashan Zheng; Na Wang; Shiqing Deng; Li Feng Zhu; Jue Liu; Joerg C. Neuefeind; Matthew G. Tucker; Mingxue Tang; Hui Liu; Jun Chen

doi:10.1021/jacs.3c09805

Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design

Huajie Luo, Zheng Sun, Ji Zhang, Hailong Xie, Yonghao Yao, Tianyu Li, Chenjie Lou, Huashan Zheng, Na Wang, Shiqing Deng, Li Feng Zhu, Jue Liu, Joerg C. Neuefeind, Matthew G. Tucker, Mingxue Tang, Hui Liu, Jun Chen

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Dielectric ceramic capacitors with high recoverable energy density (W_rec) and efficiency (η) are of great significance in advanced electronic devices. However, it remains a challenge to achieve high W_rec and η parameters simultaneously. Herein, based on density functional theory calculations and local structure analysis, the feasibility of developing the aforementioned capacitors is demonstrated by considering Bi_0.25Na_0.25Ba_0.5TiO₃ (BNT-50BT) as a matrix material with large local polarization and structural distortion. Remarkable W_rec and η of 16.21 J/cm³ and 90.5% have been achieved in Bi_0.25Na_0.25Ba_0.5Ti_0.92Hf_0.08O₃ via simple chemical modification, which is the highest W_rec value among reported bulk ceramics with η greater than 90%. The examination results of local structures at lattice and atomic scales indicate that the disorderly polarization distribution and small nanoregion (∼3 nm) lead to low hysteresis and high efficiency. In turn, the drastic increase in local polarization activated via the ultrahigh electric field (80 kV/mm) leads to large polarization and superior energy storage density. Therefore, this study emphasizes that chemical design should be established on a clear understanding of the performance-related local structure to enable a targeted regulation of high-performance systems.

Original language	English
Pages (from-to)	460-467
Number of pages	8
Journal	Journal of the American Chemical Society
Volume	146
Issue number	1
DOIs	https://doi.org/10.1021/jacs.3c09805
State	Published - Jan 10 2024

Funding

This work was supported by the National Natural Science Foundation of China (Grants 21825102, 22235002, and 22090043) and China National Postdoctoral Program for Innovative Talents (Grant BX20220033). This work made use of the resources of the Beijing National Center for Electron Microscopy at Tsinghua University. This research made use of the NOMAD instrument at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.

Funders	Funder number
Office of Science
Oak Ridge National Laboratory
National Natural Science Foundation of China	22235002, 21825102, 22090043
National Postdoctoral Program for Innovative Talents	BX20220033

Access to Document

10.1021/jacs.3c09805

Cite this

Luo, H., Sun, Z., Zhang, J., Xie, H., Yao, Y., Li, T., Lou, C., Zheng, H., Wang, N., Deng, S., Zhu, L. F., Liu, J., Neuefeind, J. C., Tucker, M. G., Tang, M., Liu, H., & Chen, J. (2024). Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design. Journal of the American Chemical Society, 146(1), 460-467. https://doi.org/10.1021/jacs.3c09805

@article{31abeef3a2c7481bad26957295510fa7,

title = "Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design",

abstract = "Dielectric ceramic capacitors with high recoverable energy density (Wrec) and efficiency (η) are of great significance in advanced electronic devices. However, it remains a challenge to achieve high Wrec and η parameters simultaneously. Herein, based on density functional theory calculations and local structure analysis, the feasibility of developing the aforementioned capacitors is demonstrated by considering Bi0.25Na0.25Ba0.5TiO3 (BNT-50BT) as a matrix material with large local polarization and structural distortion. Remarkable Wrec and η of 16.21 J/cm3 and 90.5% have been achieved in Bi0.25Na0.25Ba0.5Ti0.92Hf0.08O3 via simple chemical modification, which is the highest Wrec value among reported bulk ceramics with η greater than 90%. The examination results of local structures at lattice and atomic scales indicate that the disorderly polarization distribution and small nanoregion (∼3 nm) lead to low hysteresis and high efficiency. In turn, the drastic increase in local polarization activated via the ultrahigh electric field (80 kV/mm) leads to large polarization and superior energy storage density. Therefore, this study emphasizes that chemical design should be established on a clear understanding of the performance-related local structure to enable a targeted regulation of high-performance systems.",

author = "Huajie Luo and Zheng Sun and Ji Zhang and Hailong Xie and Yonghao Yao and Tianyu Li and Chenjie Lou and Huashan Zheng and Na Wang and Shiqing Deng and Zhu, {Li Feng} and Jue Liu and Neuefeind, {Joerg C.} and Tucker, {Matthew G.} and Mingxue Tang and Hui Liu and Jun Chen",

note = "Publisher Copyright: {\textcopyright} 2023 American Chemical Society.",

year = "2024",

month = jan,

day = "10",

doi = "10.1021/jacs.3c09805",

language = "English",

volume = "146",

pages = "460--467",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "1",

}

Luo, H, Sun, Z, Zhang, J, Xie, H, Yao, Y, Li, T, Lou, C, Zheng, H, Wang, N, Deng, S, Zhu, LF, Liu, J , Neuefeind, JC , Tucker, MG, Tang, M, Liu, H & Chen, J 2024, 'Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design', Journal of the American Chemical Society, vol. 146, no. 1, pp. 460-467. https://doi.org/10.1021/jacs.3c09805

TY - JOUR

T1 - Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design

AU - Luo, Huajie

AU - Sun, Zheng

AU - Zhang, Ji

AU - Xie, Hailong

AU - Yao, Yonghao

AU - Li, Tianyu

AU - Lou, Chenjie

AU - Zheng, Huashan

AU - Wang, Na

AU - Deng, Shiqing

AU - Zhu, Li Feng

AU - Liu, Jue

AU - Neuefeind, Joerg C.

AU - Tucker, Matthew G.

AU - Tang, Mingxue

AU - Liu, Hui

AU - Chen, Jun

PY - 2024/1/10

Y1 - 2024/1/10

N2 - Dielectric ceramic capacitors with high recoverable energy density (Wrec) and efficiency (η) are of great significance in advanced electronic devices. However, it remains a challenge to achieve high Wrec and η parameters simultaneously. Herein, based on density functional theory calculations and local structure analysis, the feasibility of developing the aforementioned capacitors is demonstrated by considering Bi0.25Na0.25Ba0.5TiO3 (BNT-50BT) as a matrix material with large local polarization and structural distortion. Remarkable Wrec and η of 16.21 J/cm3 and 90.5% have been achieved in Bi0.25Na0.25Ba0.5Ti0.92Hf0.08O3 via simple chemical modification, which is the highest Wrec value among reported bulk ceramics with η greater than 90%. The examination results of local structures at lattice and atomic scales indicate that the disorderly polarization distribution and small nanoregion (∼3 nm) lead to low hysteresis and high efficiency. In turn, the drastic increase in local polarization activated via the ultrahigh electric field (80 kV/mm) leads to large polarization and superior energy storage density. Therefore, this study emphasizes that chemical design should be established on a clear understanding of the performance-related local structure to enable a targeted regulation of high-performance systems.

AB - Dielectric ceramic capacitors with high recoverable energy density (Wrec) and efficiency (η) are of great significance in advanced electronic devices. However, it remains a challenge to achieve high Wrec and η parameters simultaneously. Herein, based on density functional theory calculations and local structure analysis, the feasibility of developing the aforementioned capacitors is demonstrated by considering Bi0.25Na0.25Ba0.5TiO3 (BNT-50BT) as a matrix material with large local polarization and structural distortion. Remarkable Wrec and η of 16.21 J/cm3 and 90.5% have been achieved in Bi0.25Na0.25Ba0.5Ti0.92Hf0.08O3 via simple chemical modification, which is the highest Wrec value among reported bulk ceramics with η greater than 90%. The examination results of local structures at lattice and atomic scales indicate that the disorderly polarization distribution and small nanoregion (∼3 nm) lead to low hysteresis and high efficiency. In turn, the drastic increase in local polarization activated via the ultrahigh electric field (80 kV/mm) leads to large polarization and superior energy storage density. Therefore, this study emphasizes that chemical design should be established on a clear understanding of the performance-related local structure to enable a targeted regulation of high-performance systems.

UR - http://www.scopus.com/inward/record.url?scp=85180571517&partnerID=8YFLogxK

U2 - 10.1021/jacs.3c09805

DO - 10.1021/jacs.3c09805

M3 - Article

AN - SCOPUS:85180571517

SN - 0002-7863

VL - 146

SP - 460

EP - 467

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 1

ER -

Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this