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In this study, we found new AgyIn3.33-y/3Se5 compounds in Ag-In-Se system by static diffusion method combined with common X-ray diffraction and backscattering electron analysis. The crystal structure belongs to the trilateral system with the P3m1 space group, which features with a two-dimensional layered structure. The unit cell is composed of 9-atom quantum layers arranged in the sequence of Se1-In1-Se2-In2-Se3-Ag/In3-Se4-In4-Se5, and in-between these layers are combined by the weak van der Waals force. The sintered bulk samples show highly anisotropic transport properties and have ultralow lattice thermal conductivity along the direction parallel to sintering pressure about 0.15 W m-1 K-1 at 873 K. The intrinsically ultralow lattice thermal conductivity mainly comes from low phonon velocity and the strong coupling between low frequency optical phonon and acoustic phonons. AgxIn3.33-x/3Se5 compounds behave as an n-type conduction. The electrical conductivity is 4×104 S m-1 and the Seebeck coefficient is - 80 μV K-1 at room temperature. Therefore, AgxIn3.33-x/3Se5 compounds show high electrical transport properties in a wide temperature range, and the power factor is around 5 μW cm-1 K-2 in the range of 450-800 K. Due to the ultra-low lattice thermal conductivity along the direction parallel to sintering pressure, Ag0.407In3.198Se5 reached a maximum ZT of 1.01 at 873 K and an average ZT of 0.45 at 300 K-850 K. The discovery of AgyIn3.33-y/3Se5 expands the n-type Copper based Chalcogenide and lays an important foundation for the application of Copper based Chalcogenide.

wuli xuebao

Structure and thermoelectric performance of Ag&lt;sub&gt;&lt;i&gt;y&lt;/i&gt;&lt;/sub&gt;In&lt;sub&gt;3.33–&lt;i&gt;y&lt;/i&gt;/3&lt;/sub&gt;Se&lt;sub&gt;5&lt;/sub&gt; compounds