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在低成本和容易氧化Cu₂P₂O₇中强烈的负热膨胀

Naike Shi¹, Andrea Sanson², Qilong Gao³

¹Beijing Advanced Innovation Center for Materials Genome Engineering and School of Mathematics and Physics , University of Science and Technology Beijing , Beijing 100083 , China.

Journal of the American Chemical Society

|January 19, 2020

概括

一种新的铜酸盐 (Cu2P2O7) 在氧化物中表现出强烈的负热膨胀 (NTE). 这种低成本的材料

科学领域:

材料科学
固态化学
凝聚物质物理学

背景情况:

负热膨胀 (NTE) 是一种材料在加热时收缩的特性.
开发具有成本效益且易于合成的NTE氧化物仍然是一个重大挑战.
现有的NTE材料通常涉及复杂的合成或高成本.

研究的目的:

确定和描述一种具有强烈负热膨胀 (NTE) 的新型低成本氧化物.
阐明Cu2P2O7中观察到的NTE行为背后的机制.
评估这种新型NTE材料的潜在实际应用.

主要方法:

高分辨率的同步射线衍射
中子粉衍射
射线对分布函数分析
扩展的X射线吸收细结构光谱
密度函数理论计算

主要成果:

在氧化物中,Cu2P2O7具有异常强的NTE,在5375 K的温度范围内,体积NTE系数 (αV) 约为-27.69 × 10−6 K−1.
实验证据直接将NTE行为与PO4和CuO5多面体的合扭转和旋转联系起来.
NTE机制是由晶体结构内的氧原子的横向振动启动的.

结论:

Cu2P2O7是一种有前途的低成本材料,具有显著的负热膨胀.
NTE的行为与特定的多面体动力学和原子振动密切相关.
该材料具有在广泛的温度范围内要求尺寸稳定的实际应用的潜力.

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