First principle investigation of stuctural, electronic, and thermoelectric properties of Ga1-xInxP (x = 0.0 to 1.0) alloys

Group III-V semiconductors are extensively studied for various technological applications. Different properties of Ga1-xInxP such as electronic, optical, elastic, thermal and mechanical, etc. were studied under different concentrations. However, there is no evident for thermoelectric performance of Ga1-xInxP (x = 0.0, 0.25, 0.50, 0.75 and 1.0). In the present study, we have calculated the structural, electronic and thermoelectric behavior of Ga1-xInxP by utilizing the WIEN2K package. The InP show indirect semiconductor nature of band gap of 2.1 eV. By adding the concentration of In, the band gap nature shifts from indirect to direct with a decrease in the band gap. For thermoelectric properties, Seebeck, thermal and electrical conductivity, power factor and figure of merit ZT are investigated through the BoltzTraP code. Our study reveals that Ga1-xInxP has a maximum value of ZT=0.79 at x=1, provide an opportunity for developing good thermoelectric devices.

Research on the performance of two different porphin graphene nanoribbons coupled thermoelectric devices

The effect of bonding position on the energy conversion efficiency of porphin graphene nanoribbons coupled thermoelectric devices was studied by the first-principles. The results show that the change of bonding position can greatly adjust the lattice thermal conductivity of the coupled thermoelectric devices; although the change of bonding position has no obvious effect on the transport properties of holes in the coupled structure, it can obviously adjust the transport properties of electrons, resulting in the different Seebeck coefficients and quality merit values of different coupled thermoelectric devices The results illustrate the different thermoelectric energy conversion effects in different porphin graphene nanoribbons coupled thermoelectric devices with different bonding positions, which provides an effective theoretical basis for the design of thermoelectric quantum devices based on graphene nanoribbons.

Comprehensive Review on Thermoelectric Electrodeposits: Enhancing Thermoelectric Performance Through Nanoengineering

Thermoelectric devices based power generation and cooling systemsystem have lot of advantages over conventional refrigerator and power generators, becausebecause of solid-state devicesdevices, compact size, good scalability, nono-emissions and low maintenance requirement with long operating lifetime. However, the applications of thermoelectric devices have been limited owingowing to their low energy conversion efficiency. It has drawn tremendous attention in the field of thermoelectric materials and devices in the 21st century because of the need of sustainable energy harvesting technology and the ability to develop higher performance thermoelectric materials through nanoscale science and defect engineering. Among various fabrication methods, electrodeposition is one of the most promising synthesis methods to fabricate devices because of its ability to control morphology, composition, crystallinity, and crystal structure of materials through controlling electrodeposition parameters. Additionally, it is an additive manufacturing technique with minimum waste materials that operates at near room temperature. Furthermore, its growth rate is significantly higher (i.e., a few hundred microns per hour) than the vacuum processes, which allows device fabrication in cost effective matter. In this paper, the latest development of various electrodeposited thermoelectric materials (i.e., Te, PbTe, Bi2Te3 and their derivatives, BiSe, BiS, Sb2Te3) in different forms including thin films, nanowires, and nanocomposites were comprehensively reviewed. Additionally, their thermoelectric properties are correlated to the composition, morphology, and crystal structure.

Corrosion Behavior in Volcanic Soils: In Search of Candidate Materials for Thermoelectric Devices

Thermoelectric generators have emerged as an excellent solution for the energy supply of volcanic monitoring stations due to their compactness and continuous power generation. Nevertheless, in order to become a completely viable solution, it is necessary to ensure that their materials are able to resist in the acidic environment characteristic of volcanoes. Hence, the main objective of this work is to study the resistance to corrosion of six different metallic materials that are candidates for use in the heat exchangers. For this purpose, the metal probes have been buried for one year in the soil of the Teide volcano (Spain) and their corrosion behavior has been evaluated by using different techniques (OM, SEM, and XRD). The results have shown excessive corrosion damage to the copper, brass, and galvanized steel tubes. After evaluating the corrosion behavior and thermoelectric performance, AISI 304 and AISI 316 stainless steels are proposed for use as heat exchangers in thermoelectric devices in volcanic environments.

Photoinduced anisotropic lattice dynamic response and domain formation in thermoelectric SnSe

Identifying and understanding the mechanisms behind strong phonon–phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to meticulously survey the full phonon dispersion of the material in order to isolate modes with anomalously large linewidth and temperature-dependence. Here we combine quantitative MeV ultrafast electron diffraction (UED) analysis with Monte Carlo based dynamic diffraction simulation and first-principles calculations to directly unveil the soft, anharmonic lattice distortions of model thermoelectric material SnSe. A small single-crystal sample is photoexcited with ultrafast optical pulses and the soft, anharmonic lattice distortions are isolated using MeV-UED as those associated with long relaxation time and large displacements. We reveal that these modes have interlayer shear strain character, induced mainly by c-axis atomic displacements, resulting in domain formation in the transient state. These findings provide an innovative approach to identify mechanisms for ultralow and anisotropic thermal conductivity and a promising route to optimizing thermoelectric devices.