Thermoelectric properties and prospects of <i>MAX</i> phases and derived <i>MX</i>ene phases

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Abstract

Thermoelectric materials, a kind of new energy material, can directly convert heat energy into electric energy, and vice versa, without needing any other energy conversion. However, the present development status of thermoelectric materials severely restricts their engineering applications in thermoelectric devices. Improving the thermoelectric performances of existing thermoelectric materials and exploring new thermoelectric materials with excellent performance are eternal research topics in thermoelectricity field. In recent years, the MAXphases and their derived MXene phases have gradually received the attention of researchers due to their unique microstructures and properties. The crystal structure of MAXphases is comprised of M _n+1 X _nstructural units and the single atomic plane of A stacked alternately. The two-dimensional MXene phase derived can be prepared after the atoms in the A-layer of MAXhave been etched. The MAXphases and their derived MXene phases have both metal feature and ceramic feature, and also have good thermal conductivity and electric conductivity, and they are anticipated to be the promising thermoelectric materials. In this paper, the present development status of the preparation technology and the thermoelectric properties of MAXphases and MXene are reviewed. Finally, some feasible schemes to improve the thermoelectric properties of MAXand its derived MXene phase materials are proposed, and the development direction and prospect of MAXphases and MXene are prospected as well.

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Authors and contacts

Corresponding author:Lin Yuan-Hua,linyh@tsinghua.edu.cn

Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 51729201, 51788104, 51672155) and the State Key R&D Program of China (Grant No. 2016YFA0201003).

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物相种类		测试温度 /K	热膨胀系数 /(10^-6K^-1)	热导率 /(W·m^–1·K^–1)	电导率 /(10⁶S·m^–1)	塞贝克系数/(μV·K^–1)
211相	Cr₂AlC	473	12.50	17.5	1.8	—
	Ti₂AlC	300	(8.10 ± 0.50)	46.0	2.8	—
	Nb₂AlC	300	8.10	20.0		—
	Ti₂SnC	300	10.00 ± 2.00	—	14.0	—
	Ti₂SC	300	8.40	60..0	1.8	–12.7
312相	Ti₃AlC₂	85	9.00 ± 0.20	26.5		0.22
312相	Ti₃SiC₂	300	9.20	46.0		—
413相	Nb₄AlC₃	300	5.75	13.5		—

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MXene	带隙/eV	迁移率/(cm²·V^–1·s^–1)	计算方法/实验值	参考文献
Sc₂CF₂	1.0	1000—5000 (e) 200—500 (h)	PBE	[80-83]
Sc₂CF₂	1.85		HSE06	[82]
Sc₂(OH)₂	0.45	2000 (e) 50—240 (h)	PBE	[80-83]
Sc₂(OH)₂	0.845		HSE06	[82]
Sc₂CO₂	1.8		PBE	[80,82]
Sc₂CO₂	2.87		HSE06	[82]
Sc₃(CN)F₂	1.18	200—1300 (e) 80—1000 (h)	HSE06	[84]
Ti₂CO₂	0.17—0.26	250—610 (e) 20000—74000 (h)	PBE	[80-82,85]
	0.9	70—150 (e) 10000—40000 (h)	HSE06	[82,86,87]
	1.03	2—900 (e) 4000—8000 (h)	HSE06	[88]
Ti₃C₂T_x(T= O, OH, F)		0.7±0.2 (e)	Experimental	[89]
		1.06 (e)	Experimental	[90]
	0.66		Experimental	[91]
Zr₂CO₂	0.88—0.97		PBE	[80,82]
	0.66		PBE	[81]
	1.70	150 (e) 1400—17500 (h)	HSE06	[82,87]
	1.58	14—376 (e) 770—1950 (h)	HSE06	[88]
	1.34		mBJ	[92]
Hf₂CO₂	0.8—1.0		PBE	[80-82]
	1.66	77—330 (e) 1000—34000 (h)	HSE06	[82,87]
	1.78	24—700 (e) 620—1300 (h)	HSE06	[88]
(Zr_0.5Hf_0.5)₂CO₂	1.74	45—1460 (e) 1500—6200 (h)	PBE	[93]
Mo₂CF₂	0.25—0.30		PBE	[81,82]
Mo₂CF₂	0.86		HSE06	[82]
Mo₂CCl₂	0.05		PBE	[81]
Mo₂C(OH)₂	0.1		PBE	[81]
W₂CO₂	0.0683		HSE06	[82]
Mo₂TiC₂O₂	0.04		PBE	[94,95]
Mo₂TiC₂O₂	0.10—0.17		HSE06	[94-96]
Mo₂TiC₂(OH)₂	0.05		PBE	[97]
Cr₂CF(OH)	0.383		PBE	[98]
Cr₂CF₂	1.105		PBE	[98]
Cr₂C(OH)₂	0.396		PBE GGA	[98]
Mo₂ZrC₂O₂	0.066		PBE	[95]
Mo₂ZrC₂O₂	0.11—0.13		HSE06	[95,96]
Mo₂HfC₂O₂	0.154		PBE	[95]
Mo₂HfC₂O₂	0.20—0.24		HSE06	[95,96]
W₂TiC₂O₂	0.29		HSE06	[96]
W₂ZrC₂O₂	0.28		HSE06	[96]
W₂HfC₂O₂	0.41		HSE06	[96]
Lu₂CF₂	2.07	200—1000 (e) 14—6000 (h)	HSE06	[99]
Lu₂C(OH)₂	1.28	100000—200000 (e) 12—14000 (h)	HSE06	[99]

DownLoad: CSV

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Vol. 70, Issue 20 - 2021-10-20

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