二维层状材料CuInP2Se6的热传输特性研究

doi:10.15541/jim20260035

无机材料学报 ›› 2026, Vol. 41 ›› Issue (10): 1380-1386.DOI: 10.15541/jim20260035

二维层状材料CuInP₂Se₆的热传输特性研究

程志鹏¹^,²^,³(), 林晨升², 颜涛², 罗敏²^,³(), 杨顺达²^,³()

¹ 福建师范大学化学与材料学院, 福州 350117
² 中国科学院福建物质结构研究所, 功能晶体与器件全国重点实验室, 福州 350002
³ 中国科学院大学福建学院, 福州 350002

收稿日期:2026-01-19 修回日期:2026-03-04 出版日期:2026-10-20 网络出版日期:2026-04-03
通讯作者: 罗敏, 研究员. E-mail: lm8901@fjirsm.ac.cn;
杨顺达, 助理研究员. E-mail: yangshunda@fjirsm.ac.cn
作者简介:程志鹏(1999-), 男, 硕士研究生. E-mail: chengzhipeng@fjirsm.ac.cn
基金资助:
国家自然科学基金(22505261);福州市科技计划(2025-P-001);福建省自然科学基金(2025J01244)

Thermal Transport Properties of Two-dimensional Layered Material CuInP₂Se₆

CHENG Zhipeng¹^,²^,³(), LIN Chensheng², YAN Tao², LUO Min²^,³(), YANG Shunda²^,³()

¹ School of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350117, China
² State Key Laboratory of Functional Crystals and Devices, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
³ Fujian School, University of Chinese Academy of Sciences, Fuzhou 350002, China

Received:2026-01-19 Revised:2026-03-04 Published:2026-10-20 Online:2026-04-03
Contact: LUO Min, professor. E-mail: lm8901@fjirsm.ac.cn;
YANG Shunda, assistant professor. E-mail: yangshunda@fjirsm.ac.cn
About author:CHENG Zhipeng (1999-), male, Master candidate. E-mail: chengzhipeng@fjirsm.ac.cn
Supported by:
National Natural Science Foundation of China(22505261);Fuzhou Science and Technology Program(2025-P-001);Natural Science Foundation of Fujian Province(2025J01244)

摘要/Abstract

摘要：

二维层状材料CuInP₂Se₆晶体因其铁电性和多种特殊的光学性质而被广泛关注, 但热学性质方面研究不足, 制约了其进一步推广应用。因此, 本研究通过气相输运法结合放电等离子烧结(SPS)技术制备了致密多晶CuInP₂Se₆, 探索其热稳定性与热传输特性。热重测试结果表明CuInP₂Se₆在300~740 K温度范围内没有分解和相变; 在300~623 K的温度区间内, 平行于SPS压力方向的热导率由0.63 W·m^-1·K^-1降低至0.35 W·m^-1·K^-1, 垂直于SPS压力方向的热导率由1.34 W·m^-1·K^-1降低至0.93 W·m^-1·K^-1。为了探究影响CuInP₂Se₆热导率的关键因素, 进行了相应的理论计算和声速测试。结果显示材料内部存在着强烈的声子散射, 且CuInP₂Se₆具有较低的横波声速(V_T=1199 m·s^-1)和较强的晶格非谐性(γ=1.83)。CuInP₂Se₆的低热导率主要源于强烈的声子散射、较低的声速以及较强的晶格非谐性三者的协同作用。本研究为CuInP₂Se₆的实际应用提供了理论基础与实际数据支撑。

关键词: 二维层状材料, CuInP₂Se₆, 热传输, 低热导率

Abstract:

Two-dimensional layered CuInP₂Se₆ crystals have attracted extensive attention owing to the ferroelectricity and various unique optical properties. However, the lack of research on their thermal properties hindered their further application. In this study, dense polycrystalline CuInP₂Se₆ was prepared by vapor transport combined with spark plasma sintering (SPS), and its thermal stability and thermal transport properties were investigated systematically. Thermogravimetric analysis results show that CuInP₂Se₆ does not decompose or undergo phase transitions in the temperature range of 300-740 K. Within the temperature range of 300-623 K, the thermal conductivity decreases from 0.63 W·m^-1·K^-1to 0.35 W·m^-1·K^-1 parallel to the SPS pressing direction, and from 1.34 W·m^-1·K^-1 to 0.93 W·m^-1·K^-1 perpendicular to the SPS pressing direction. To explore the key factors influencing the thermal conductivity of CuInP₂Se₆, corresponding theoretical calculations and sound velocity measurements were carried out. Results reveal strong phonon scattering inside the material, and CuInP₂Se₆ possesses a low transverse sound velocity (V_T=1199 m·s^-1) and strong lattice anharmonicity (γ=1.83). The low thermal conductivity of CuInP₂Se₆ originates from the synergistic effect of strong phonon scattering, low sound velocity, and strong lattice anharmonicity. This study provides theoretic mechanism and experimental data for application of CuInP₂Se₆.

Key words: two-dimensional layered material, CuInP₂Se₆, thermal transport, low thermal conductivity

中图分类号:

O551

程志鹏, 林晨升, 颜涛, 罗敏, 杨顺达. 二维层状材料CuInP₂Se₆的热传输特性研究[J]. 无机材料学报, 2026, 41(10): 1380-1386.

CHENG Zhipeng, LIN Chensheng, YAN Tao, LUO Min, YANG Shunda. Thermal Transport Properties of Two-dimensional Layered Material CuInP₂Se₆[J]. Journal of Inorganic Materials, 2026, 41(10): 1380-1386.

图/表 7

图1 CI-PX和CI-CZ样品的制备示意图

Fig. 1 Schematic illustration of the preparation of CI-PX and CI-CZ samples

图2 CuInP2Se6的晶体结构

Fig. 2 Crystal structures of CuInP2Se6 Crystal structures of CuInP2Se6 viewed along (a) a- and (b) c-axes; (c) Internal structural details of CuInP2Se6, including [P2Se6] groups, [CuSe6] octahedra and [InSe6] octahedral. Colorful figures are available on website

图3 CuInP2Se6样品的(a) XRD谱图和(b, c) SEM照片

Fig. 3 (a) XRD patterns and (b, c) SEM images of CuInP2Se6 samples (a) Powder before SPS, CI-PX and CI-CZ; (b) CI-PX; (c) CI-CZ

图4 CI-PX的EDS元素分布图

Fig. 4 EDS elemental mappings of CI-PX

图5 CuInP2Se6的热重曲线和晶格热导率

Fig. 5 Thermogravimetric curve and lattice thermal conductivity of CuInP2Se6 (a) Thermogravimetric analysis (TGA) and differential thermal analysis (DTA); (b) Temperature-dependent lattice thermal conductivities of CuInP2Se6 parallel and perpendicular to the pressure direction, and reported thermoelectric materials[18-23]

表1 CI-PX和CI-CZ样品的声速和γ

Table 1 Sound velocities and γ of CI-PX and CI-CZ samples

Sample	V_L/(m•s^-1)	V_T/(m•s^-1)	γ
CI-PX	2283	1199	1.83
CI-CZ	2554	1365	1.77

图6 CuInP2Se6的理论计算图谱和原子振动模式可视化

Fig. 6 Theoretical calculation plots and visualization of atomic vibration modes for CuInP2Se6 (a) Phonon dispersion curves of CuInP2Se6; (b) Projected phonon density of states (PDOS) of CuInP2Se6; (c) γ of CuInP2Se6; (d) Calculated phonon group velocity spectra of CuInP2Se6; Vibration modes of (e) longitudinal acoustic branch and (f) low-frequency optical branch. Colorful figures are available on website

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二维层状材料CuInP₂Se₆的热传输特性研究

Thermal Transport Properties of Two-dimensional Layered Material CuInP₂Se₆

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