scholarly journals CsPd0.875Cr0.125I3 Promising Candidate for Thermoelectric Applications

2021 ◽  
Vol 66 (12) ◽  
pp. 1063
Author(s):  
S. Berri
Keyword(s):  
Thermoelectric Properties ◽  
Low Temperatures ◽  
Room Temperature ◽  
Generalized Gradient ◽  
Promising Candidate ◽  
Seebeck Coefficients ◽  
Generalized Gradient Approximation ◽  
Merit Factor ◽  
Electrical Conductivities ◽  
High And Low Temperatures

We study the electronic structure, magnetization, and thermoelectric properties of CsPd0.875Cr0.125I3 obtained by doping CsPdI3 with atoms of the 3d transition metal Cr. By applying the generalized-gradient-approximation (GGA) and the GGA + U one, we found that CsPd0.875Cr0.125I3 alloy exhibits a completely metallic characteristic. Changes in the thermoelectric properties of the alloy are determined with the use of the BoltzTrap code. The electronic thermal conductivities (k/т), Seebeck coefficients (S), power factors (PF), and electrical conductivities (q/т) are calculated. The value of the ZT merit factor is near 1 at room temperature, by indicating that CsPd0.875Cr0.125I3 is a good candidate for thermoelectric applications at high and low temperatures.

Critical role of nanoinclusions in silver selenide nanocomposites as a promising room temperature thermoelectric material

2019 ◽  
Vol 7 (9) ◽  
pp. 2646-2652 ◽  
Author(s):  
Khak Ho Lim ◽  
Ka Wai Wong ◽  
Yu Liu ◽  
Yu Zhang ◽  
Doris Cadavid ◽  
...  
Keyword(s):  
Seebeck Coefficient ◽  
Room Temperature ◽  
Opposite Effect ◽  
Critical Role ◽  
Free Carrier ◽  
Silver Selenide ◽  
Band Bending ◽  
Seebeck Coefficients ◽  
Electrical Conductivities

The introduction of nonmetal nanoinclusions within Ag2Se results in an interphase band bending that promotes electron filtering and increase Seebeck coefficient. Similar loading of metal nanoinclusions provided an opposite effect-modulating free carrier concentration, as characterized by superior electrical conductivities and lower Seebeck coefficients.

scholarly journals Annealing Effect on the Thermoelectric Properties of Bi2Te3Thin Films Prepared by Thermal Evaporation Method

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Jyun-Min Lin ◽  
Ying-Chung Chen ◽  
Chi-Pi Lin
Keyword(s):  
Thin Films ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Power Factor ◽  
Room Temperature ◽  
Annealing Temperature ◽  
Thermal Evaporation ◽  
Thermal Evaporation Method ◽  
Si Substrates ◽  
Seebeck Coefficients

Bismuth telluride-based compounds are known to be the best thermoelectric materials within room temperature region, which exhibit potential applications in cooler or power generation. In this paper, thermal evaporation processes were adopted to fabricate the n-type Bi2Te3thin films on SiO2/Si substrates. The influence of thermal annealing on the microstructures and thermoelectric properties of Bi2Te3thin films was investigated in temperature range 100–250°C. The crystalline structures and morphologies were characterized by X-ray diffraction and field emission scanning electron microscope analyses. The Seebeck coefficients, electrical conductivity, and power factor were measured at room temperature. The experimental results showed that both the Seebeck coefficient and power factor were enhanced as the annealing temperature increased. When the annealing temperature increased to 250°C for 30 min, the Seebeck coefficient and power factor of n-type Bi2Te3-based thin films were found to be about −132.02 μV/K and 6.05 μW/cm·K2, respectively.

First-Principles Calculation for Improving Room Temperature Ductility of B2-NiAl by Fe

2011 ◽  
Vol 327 ◽  
pp. 94-99
Author(s):  
Yu Xiang Lu ◽  
Guo Liang Qi ◽  
Liang Cheng
Keyword(s):  
First Principles ◽  
Room Temperature ◽  
Nearest Neighbor ◽  
Function Theory ◽  
Population Analysis ◽  
First Principles Calculation ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Room Temperature Ductility ◽  
The Impact

Generalized gradient approximation (GGA) of the density function theory (DFT) was applied to calculate many properties including density of states, population analysis and electron density in NiAl and NiAl(Fe) to investigate the mechanism of improving room temperature ductility of B2-NiAl by Fe. It was shown that the strong bond to Al p and Ni d hybridization, which leads to the embrittlement of B2-NiAl at room temperature. Addition of Fe, which is beneficial to improve ambient ductility of B2-NiAl, weakens the impact of the bond to Al p and Ni d hybridization and enhances the interaction among next-nearest-neighbor Ni atoms to make the charge distribution uniform along <100>.

scholarly journals Thermoelectric Properties of Sr1-3x/2Lax/2Smx/2TiO3-δ (0.05 ≤ x ≤ 0.30) Ceramics

2021 ◽  
Author(s):  
Adindu C. Iyasara
Keyword(s):  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Ceramic Powders ◽  
Thermoelectric Figure ◽  
Seebeck Coefficients ◽  
Reducing Gas ◽  
Maximum Value ◽  
Heat Treated ◽  
Electrical Conductivities ◽  
Sintering Processes

Abstract Influence of strongly reducing processing atmosphere on Sr-vacancy Sr1-3x/2Lax/2Smx/2TiO3-δ (x = 0.05, 0.10, 0.15, 0.20, 0.30) ceramics was investigated. The ceramic powders were prepared by the solid-state reaction (SSR) method, and heat treated in 5 % H2/N2 reducing gas at 1573 K for 6 h and 1773 K for 8 h for calcination and sintering processes, respectively. Thermoelectric properties of Sr1-3x/2Lax/2Smx/2TiO3-δ ceramics were evaluated from 573 to 973 K. Their electrical conductivities increased with carrier concentration and also decreased with temperature, indicating metallic behaviour. The Seebeck coefficients showed n-type behaviour and increased with temperature. Additionally, the total thermal conductivities exhibited low values, with a minimum value, 2.67 W/m. K for x = 0.20 ceramics at 973 K. A maximum thermoelectric figure of merit, ZT = 0.30 at 973 K was reached for Sr0.7La0.1Sm0.1TiO3-δ ceramics, which is 20 % higher than the maximum value reported previously for La-Sm electron doped SrTiO3 ceramics.

First-principles study of the structural and thermoelectric properties of Y-doped α-SrSi2

2022 ◽  
Author(s):  
Masato Yamaguchi ◽  
Daishi Shiojiri ◽  
Tsutomu Iida ◽  
Naomi Hirayama ◽  
Yoji IMAI
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Narrow Band ◽  
Hybrid Functional ◽  
Promising Candidate ◽  
Functional Theory ◽  
Seebeck Coefficients ◽  
Increasing Temperature ◽  
P Type

Abstract The narrow-gap semiconductor α-SrSi2 is a promising candidate for low-temperature thermoelectric applications with low environmental load. The only experimental report in which α-SrSi2 is reported to have n-type conductivity is one where it had been doped with yttrium. To further clarify the effects of impurities, theoretical studies are needed. The α-SrSi2 has a very narrow band gap (~13–35 meV), causing difficulties in the accurate calculation of the electronic and thermoelectric properties. In our previous study, we overcame this problem for undoped α-SrSi2 using hybrid functional theory. We used this method in this study to investigate the structures, energetic stabilities, electronic structures, and thermoelectric properties of Y-doped α-SrSi2. The results indicate that substitution at Sr-sites is energetically about two times more stable than that at Si-sites. Furthermore, negative Seebeck coefficients were obtained at low temperatures and reverted to p-type with increasing temperature, which is consistent with the experimental results.

Thermoelectric Properties of CoSb3 Nanoparticle Films

2011 ◽  
Vol 347-353 ◽  
pp. 3448-3455
Author(s):  
Ya Jun Yang ◽  
Xian Yun Liu ◽  
Xu Dong Wang ◽  
Mei Ping Jiang ◽  
Xian Feng Chen ◽  
...  
Keyword(s):  
Thermoelectric Properties ◽  
Power Factor ◽  
Room Temperature ◽  
Maximum Power ◽  
Vapor Transport ◽  
Growth Technique ◽  
Highly Efficient ◽  
Nanoparticle Films ◽  
Electrical Conductivities ◽  
Maximum Power Factor

Cobblestone-like CoSb3 nanoparticle films have been achieved via a catalyst-free vapor transport growth technique. The thermoelectric properties of the nanoparticle films were measured from room temperature to around 500 oC. The resultant CoSb3 nanoparticle films show high electrical conductivities due to clean particle surfaces. A maximum power factor reaches 1.848×10−4 W/mK2 at 440 oC. The discussed approach is promising for realizing new types of highly efficient thermoelectric semiconductors.

scholarly journals Fabrication of PEDOT: PSS-PVP Nanofiber-Embedded Sb2Te3 Thermoelectric Films by Multi-Step Coating and Their Improved Thermoelectric Properties

Materials ◽  
2020 ◽  
Vol 13 (12) ◽  
pp. 2835
Author(s):  
Sang-il Kim ◽  
Kang Yeol Lee ◽  
Jae-Hong Lim
Keyword(s):  
Thermoelectric Properties ◽  
Power Factor ◽  
Photoelectron Spectroscopy ◽  
Hybrid Composites ◽  
Composite Films ◽  
X Ray Diffraction ◽  
Thermoelectric Efficiency ◽  
X Ray ◽  
Seebeck Coefficients ◽  
Electrical Conductivities

Antimony telluride thin films display intrinsic thermoelectric properties at room temperature, although their Seebeck coefficients and electrical conductivities may be unsatisfactory. To address these issues, we designed composite films containing upper and lower Sb2Te3 layers encasing conductive poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS)- polyvinylpyrrolidone(PVP) nanowires. Thermoelectric Sb2Te3/PEDOT:PSS-PVP/Sb2Te3(ED) (STPPST) hybrid composite films were prepared by a multi-step coating process involving sputtering, electrospinning, and electrodeposition stages. The STPPST hybrid composites were characterized by field-emission scanning electron microscopy, X-ray diffraction, ultraviolet photoelectron spectroscopy, and infrared spectroscopy. The thermoelectric performance of the prepared STPPST hybrid composites, evaluated in terms of the power factor, electrical conductivity and Seebeck coefficient, demonstrated enhanced thermoelectric efficiency over a reference Sb2Te3 film. The performance of the composite Sb2Te3/PEDOT:PSS-PVP/Sb2Te3 film was greatly enhanced, with σ = 365 S/cm, S = 124 μV/K, and a power factor 563 μW/mK.

scholarly journals The influence of high and low temperatures on the impact properties of glass-epoxy composites

2007 ◽  
Vol 72 (7) ◽  
pp. 713-722 ◽  
Author(s):  
Slavisa Putic ◽  
Marina Stamenovic ◽  
Branislav Bajceta ◽  
Predrag Stajcic ◽  
Srdjan Bosnjak
Keyword(s):  
Low Temperatures ◽  
Composite Structures ◽  
Room Temperature ◽  
Epoxy Composite ◽  
Epoxy Composites ◽  
Temperature Influence ◽  
Impact Properties ◽  
Different Temperatures ◽  
High And Low Temperatures ◽  
The Impact

The aim of this paper is to present the influence of high and low temperatures on the impact properties glass-epoxy composites. The impact strength an is presented for four different glass-epoxy composite structures at three different temperatures, i.e., at room temperature t=20?C, at an elevated temperature t=+50?C and at a low temperature t=-50?C. Standard mechanical testing was carried out on the composite materials with specific masses of reinforcement of 210 g m-2 and 550 g m-2 and orientations 0?/90? and ?45?. Micromechanical analysis of the failure was performed in order to determine real models and mechanisms of crack and temperature influence on the impact properties. .

Thermoelectric properties of half-Heusler ZrNiPb by using first principles calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (53) ◽  
pp. 47953-47958 ◽  
Author(s):  
San-Dong Guo
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
First Principles Calculations ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation

We investigate the electronic structures and thermoelectric properties of a recently synthesized half-Heusler ZrNiPb compound by using a generalized gradient approximation (GGA) and GGA plus spin–orbit coupling (GGA + SOC).

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