SiH monolayer : A promising two‐dimensional thermoelectric material

Abstract

Summary Stability and dynamics of structure, mechanical and thermoelectric properties of SiH monolayer have been reported in this work. After confirming the stability apprehensions, electronic structure calculations present the SiH as an indirect semiconducting monolayer with a bandgap of 2.19 eV. Calculations on elastic constant, deformation potential constant, effective mass, relaxation time, and mobility of charge carriers have been done to get the exact value of thermoelectric parameters. We analysed the variation of Seebeck coefficient, electrical conductivity and electronic thermal conductivity with respect to chemical potential at different temperatures and found that the high value of Seebeck coefficient and electrical conductivity along with low electronic thermal conductivity leads to a high value of ZeT ꞊ 2.185. SiH monolayer is being reported for the first time as a thermoelectric material and calculated thermoelectric properties show that SiH monolayer can be used efficiently in the field of thermoelectricity.

Electric field tunability of the electronic properties and contact types in the MoS2/SiH heterostructure

“…Recently, a novel 2D material, namely silane (SiH), was obtained by the covalent modication of hydrogen and silicene. 26,27 Unlike silicene, the SiH monolayer is a semiconductor with a band gap of about 2.19 eV, 28 making it suitable for photocatalysis and optoelectronic applications. 29,30 The SiH monolayer is structurally stable at room temperature.…”

XO2 (X = Pd, Pt) Monolayers: A Promising Thermoelectric Materials

“…Thermoelectric efficiency of devices is computed by dimensionless figure of merit $$( {{\rm{ZT = }}\frac{{{S^2} \times T}}{k}} )$$. [ 3 ] The strategy is to design materials with low κ without sacrificing S and σ . [ 4,5 ] These parameters are interrelated to each other, so the main focus is to decouple them.…”

Interfacial electronic properties between PtSe2and 2D metal electrodes: a first-principles simulation

“…Two-dimensional (2D) materials such as graphene, phosphorene, and InSe have broad applications in electronics, optoelectronics, spintronics, and various other fields owing to their atomic-level thickness. [1][2][3][4][5][6][7][8][9][10] Although graphene has exceptional carrier mobility (20 000 cm 2 V À1 s À1 ), the lack of a band gap makes it challenging to apply in high-performance devices. Phosphorene and InSe have appropriate band gaps and high carrier mobilities, and they have been the most studied 2D materials in recent years.…”