Weakly coupled relaxor construction in lead-free ferroelectrics with simple composition for superior energy-storage performance.

IF 12.2 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Materials Horizons Pub Date : 2025-03-20 DOI:10.1039/d5mh00261c

Minghao Liu, Chen Ming, Zhen Liu, Hongbo Liu, Bing Han, Narendirakumar Narayanan, Xuantong Liu, Kai Dai, Teng Lu, Xuefeng Chen, Zhigao Hu, Yun Liu, Genshui Wang

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Abstract

The development of advanced environmentally friendly energy storage capacitors is critical to meet escalating demands of pulsed power systems. However, challenges persist in enhancing both the recoverable energy density (W_rec) and efficiency (η) simultaneously. In the present study, a strategy involving domain configuration modulation, achieved by simple single rare earth ion doping, was proposed to enhance the energy-storage performance of BaTiO₃. The designed Ba_1-1.5xLa_xTiO₃ (BLT-x) ceramics exhibited an ultrahigh W_rec of 9.2 J cm^-3 and η of 85.0% when x = 0.10. Furthermore, the origin of the superior performance was revealed through first-principles calculations and atomic-scale displacement analysis. The introduction of La generated intense structural fluctuations in the ordered ferroelectric domains, leading to relaxors with weakly coupled polar nanoregions and delayed saturation polarization. Such factors, combined with enhanced E_b, contributed to elongated P-E loops and ultimately ultrahigh W_rec and η. Meanwhile, the BLT-0.10 ceramic demonstrated exceptional temperature stability (-40-120 °C), frequency stability (10-250 Hz) and fatigue stability (10⁶ cycles), along with notable charging-discharging capabilities. The present research not only provides a potential candidate for advanced pulsed power systems, but also offers a novel strategy for achieving superior energy-storage performance in perovskite ferroelectrics through single rare earth ion-doping.

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结构简单的无铅铁电体弱耦合弛豫器结构，具有优异的储能性能。

开发先进的环境友好型储能电容器是满足脉冲电力系统日益增长的需求的关键。然而，在同时提高可采能量密度（Wrec）和效率（η）方面仍然存在挑战。在本研究中，提出了一种涉及域构型调制的策略，通过简单的单一稀土离子掺杂来实现，以提高BaTiO3的储能性能。设计的Ba1-1.5xLaxTiO3 （BLT-x）陶瓷在x = 0.10时的η值高达85.0%，Wrec值高达9.2 J cm-3。此外，通过第一性原理计算和原子尺度位移分析揭示了优越性能的来源。镧的引入在有序铁电畴中产生了强烈的结构波动，导致弛豫剂具有弱耦合的极性纳米区和延迟的饱和极化。这些因素，加上增强的Eb，导致P-E环延长，最终导致超高的Wrec和η。同时，BLT-0.10陶瓷具有优异的温度稳定性（-40-120°C）、频率稳定性（10-250 Hz）和疲劳稳定性（106次循环），以及显著的充放电能力。本研究不仅为先进的脉冲电源系统提供了潜在的候选材料，而且为通过单一稀土离子掺杂实现钙钛矿铁电体优异的储能性能提供了一种新的策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Materials Horizons CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

18.90

自引率

2.30%

发文量

306

审稿时长

1.3 months

期刊介绍： Materials Horizons is a leading journal in materials science that focuses on publishing exceptionally high-quality and innovative research. The journal prioritizes original research that introduces new concepts or ways of thinking, rather than solely reporting technological advancements. However, groundbreaking articles featuring record-breaking material performance may also be published. To be considered for publication, the work must be of significant interest to our community-spanning readership. Starting from 2021, all articles published in Materials Horizons will be indexed in MEDLINE©. The journal publishes various types of articles, including Communications, Reviews, Opinion pieces, Focus articles, and Comments. It serves as a core journal for researchers from academia, government, and industry across all areas of materials research. Materials Horizons is a Transformative Journal and compliant with Plan S. It has an impact factor of 13.3 and is indexed in MEDLINE.