Bonding Inhomogeneity and Strong Anharmonicity Induce Ultralow Lattice Thermal Conductivity in Calcium Pyrovanadate
文献类型：期刊论文
| 作者 | Jin, Xin2,3; Pei, Guishang2,3; Jiao, Mengjiao2,3; Li, Ronghan1; Li, Jiangxu1; Li, Yong2,3; Wang, Rui4,5; Lv, Xuewei2,3 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2022-09-15 |
| 页码 | 7 |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/acs.jpcc.2c04955 |
| 通讯作者 | Li, Yong(liyong2020@cqu.edu.cn) ; Wang, Rui(rcwang@cqu.edu.cn) ; Lv, Xuewei(lvxuewei@163.com) |
| 英文摘要 | Calcium pyrovanadate (Ca2V2O7) has been reported as an advanced functional material for optoelectronics and energy storage owing to its layered crystal structure and intense O2-V5+ charge transfer bands. Therefore, the studies on the physicochemical properties of Ca2V2O7 to further improve its service performance are indispensable. Herein, we systemically investigate the structural, lattice dynamic, and thermodynamic properties of Ca2V2O7 utilizing experimental measurements and first-principles calculations. The measured heat capacity is found to obviously break through the Dulong-Petit limit, indicating that strong anharmonicity is present in Ca2V2O7. Furthermore, we reveal the hierarchical thermal transport behavior of Ca2V2O7 in the dual-phonon theory framework and predict the ultralow lattice thermal conductivity (kappa) with values of 2.15, 2.11, and 1.91 W/ mK along the a, b, and c axes at 300 K. The results indicate that a significant contribution from diffusive thermal transport to the kappa is observed, leading to a temperature-dependent kappa much flatter than that of the general law of kappa & SIM; T-1 in most other materials. This study not only promotes the diverse applications of Ca2V2O7 such as thermal insulating materials and batteries but also provides novel into the fundamental thermal of calcium-intercalated vanadium-based oxides. |
| 资助项目 | National Key R&D Program of China[2018YFC1900500] ; Foundation Research Fund for National Natural Science Foundation of China[U1902217] ; National Natural Science Foundation of China[11974062] |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000861773900001 |
| 资助机构 | National Key R&D Program of China ; Foundation Research Fund for National Natural Science Foundation of China ; National Natural Science Foundation of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/175691]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Li, Yong; Wang, Rui; Lv, Xuewei |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400044, Peoples R China 3.Chongqing Univ, Chongqing Key Lab Vanadium Titanium Met & Adv Mat, Chongqing 400044, Peoples R China 4.Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China 5.Chongqing Univ, Dept Phys, Chongqing 400044, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jin, Xin,Pei, Guishang,Jiao, Mengjiao,et al. Bonding Inhomogeneity and Strong Anharmonicity Induce Ultralow Lattice Thermal Conductivity in Calcium Pyrovanadate[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2022:7. |
| APA | Jin, Xin.,Pei, Guishang.,Jiao, Mengjiao.,Li, Ronghan.,Li, Jiangxu.,...&Lv, Xuewei.(2022).Bonding Inhomogeneity and Strong Anharmonicity Induce Ultralow Lattice Thermal Conductivity in Calcium Pyrovanadate.JOURNAL OF PHYSICAL CHEMISTRY C,7. |
| MLA | Jin, Xin,et al."Bonding Inhomogeneity and Strong Anharmonicity Induce Ultralow Lattice Thermal Conductivity in Calcium Pyrovanadate".JOURNAL OF PHYSICAL CHEMISTRY C (2022):7. |
入库方式： OAI收割
来源：金属研究所
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