Article
Materials Science, Multidisciplinary
N. Reumann, A. Riss, F. Garmroudi, M. Parzer, J. Kovacevic, T. Mori, E. Bauer
Summary: Elemental substitutions can be successfully used to optimize the thermoelectric properties of a specific material, but a deep understanding of its impact is required. In this study, various Fe2-xCrxVAl compounds were synthesized by substituting Cr for Fe in the Fe2VAl material, and their properties were characterized. X-ray diffraction analysis showed complete solubility of Cr for all concentrations. The bulk thermoelectric properties were measured and compared with density functional calculations. Transport anomalies resembling Kondo scattering were observed below 30 K. Phenomenologically, an increased effective number of valence electrons of 7 for Cr was determined, which agrees well with other p-type doping studies of Fe2VAl.
Article
Chemistry, Physical
Lijun Zhao, Jian Yang, Yunhan Zou, Jiabin Hu, Guiwu Liu, Haicheng Shao, Xiangzhao Zhang, Zhongqi Shi, Shahid Hussain, Guanjun Qiao
Summary: By incorporating Bi and Ag into Cu3SbSe4, multiple secondary phases are generated to enhance thermoelectric performance. The multiscale defects can reduce thermal conductivity by enhancing phonon scattering. Modifying the band structure and increasing carrier effective mass can enhance the Seebeck coefficient.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Hankun Xu, Kun Lin, Wenjie Li, Qiang Li, Joerg C. Neuefeind, Jue Liu, Kenichi Kato, Jun Miao, Xianran Xing
Summary: In this study, the role of non-stoichiometry in second harmonic generation (SHG) in LiNbO3 was investigated by preparing non-stoichiometric LiNbO3 samples with different Li mole percentages. It was found that reducing the Li content to 47 mol% significantly weakened the SHG response by 50% without affecting the band gap. This effect was attributed to the introduction of anti-occupied Nb and Li vacancies, which reduced local distortions and polarizations of the octahedra, resulting in the decline of SHG response. These findings provide insights for the future design of functional materials with non-stoichiometric compositions.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Hanhwi Jang, Stanley Abbey, Brakowaa Frimpong, Chien Viet Nguyen, Pawel Ziolkowski, Gregor Oppitz, Moohyun Kim, Jae Yong Song, Ho Sun Shin, Yeon Sik Jung, Min-Wook Oh
Summary: A comparative study of the electronic transport properties of Sb2Si2Te6 and Bi2Si2Te6 reveals that Bi2Si2Te6 is significantly affected by phase boundary scattering, while Sb2Si2Te6 is relatively unaffected. Furthermore, extensive point defect scattering in Sb2Si2Te6 significantly reduces its thermal conductivity and results in high zT values.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Dharma Basaula, Mohamad Daeipour, Lukasz Kuna, John Mangeri, Boris Feygelson, Serge Nakhmanson
Summary: We developed a computational framework based on finite element method to evaluate thermoelectric properties of polycrystalline nanostructured materials and composites. Benchmark problems were formulated, tested, and validated to progress from simple to advanced cases. The framework showed excellent agreement with experimental or computational results for benchmark problems, establishing its capabilities to elucidate thermoelectric effects at the mesoscale level and providing new opportunities for improving operational efficiency of nanoengineered thermoelectric materials and composites.
Article
Materials Science, Multidisciplinary
Yuan Zhi Zhang, Shuai Ling Li, Zhen Li, Shi Yun Lou, Shao Min Zhou
Summary: By introducing Sn doping, the GeTe-based material forms a disordered structure, resulting in reduced thermal conductivity and improved thermoelectric performance.
Article
Nanoscience & Nanotechnology
Yutian Wu, Xianli Su, Dongwang Yang, Qingjie Zhang, Xinfeng Tang
Summary: AgBi3S5 is an environmentally friendly n-type thermoelectric material, but its poor electrical properties limit its overall performance. Configurational entropy engineering can effectively decrease thermal conductivity and enhance electrical transport properties.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Vinothkumar Lourdhusamy, Jeng-Lung Chen, Immanuel Paulraj, Liang-Ching Hsu, Yan-Yun Li, Tzyy-Schiuan Yang, K. Veera Prabu, Chia-Jyi Liu
Summary: In this study, an effective approach to simultaneously enhance the power factor and reduce the total thermal conductivity of InSb by isoelectronic doping of Bi for Sb is reported. The enhanced power factor is attributed to the increase of carrier concentration by charge transfer, while the reduced total thermal conductivity is due to the point defects.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Jue Wang, Xuan-Hao Cao, Yu-Jia Zeng, Nan-Nan Luo, Li-Ming Tang, Ke-Qiu Chen
Summary: The phonon thermal conductivity of superlattices can be effectively modulated by changing the superlattice arrangement and inducing structural defects, which in turn enhances the thermoelectric performance. The thermoelectric properties of the superlattices increase with temperature and central region length, and the figure of merit can reach 1.38 at 500 K for the aperiodic superlattice. This suggests a new potential strategy for tuning the thermoelectric performance of devices by exploiting the arrangements of aperiodic superlattices.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Ceramics
Xin Liu, Mengmeng Fan, Xuguang Zhu, Zengguo Tian, Xin-Jian Li, Hongzhang Song
Summary: By substituting Ag and doping SiC, the thermoelectric performance of Bi2Sr2Co2Oy was significantly improved in this study.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Razvan Burcea, Jean-Francois Barbot, Pierre-Olivier Renault, Dominique Eyidi, Thierry Girardeau, Marc Marteau, Fabien Giovannelli, Ahmad Zenji, Jean-Michel Rampnoux, Stefan Dilhaire, Per Eklund, Arnaud le Febvrier
Summary: By introducing point and extended defects through argon ion implantation in epitaxial 111-ScN thin films, the thermal conductivity was reduced and overall thermoelectric performance was improved. The study showed that control defect engineering with defects introduced by irradiation using noble gases can be an attractive method to enhance the figure of merit of thermoelectric materials.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Kasey P. Devlin, Shunda Chen, Davide Donadio, Susan M. Kauzlarich
Summary: Solid solutions of Yb(2-x)A(x)CdSb(2) (A = Ca, Sr, Eu; x <= 1) exhibit different crystal structures, with structural transitions occurring with increased Ca content, impacting thermoelectric properties.
INORGANIC CHEMISTRY
(2021)
Article
Physics, Applied
Adele Leon, Shantanu Misra, Petr Levinsky, Jiri Hejtmanek, Bartlomiej Wiendlocha, Bertrand Lenoir, Christophe Candolfi
Summary: By inserting Pb into Bi2Te2Se, the electronic properties of the material have been successfully transformed from lightly doped n-type to heavily doped p-type, resulting in high power factors and low thermal conductivity values. This favorable combination of thermoelectric properties yields a peak dimensionless figure of merit ZT of 0.70 at 425 K in the direction perpendicular to the pressing direction.
APPLIED PHYSICS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Ruijuan Yan, Chen Shen, Marc Widenmeyer, Ting Luo, Robert Winkler, Esmaeil Adabifiroozjaei, Ruiwen Xie, Songhak Yoon, Emmanuelle Suard, Leopoldo Molina-Luna, Hongbin Zhang, Wenjie Xie, Anke Weidenkaff
Summary: The density functional theory (DFT) calculations and experiments have confirmed that the 3d elements occupying the B position in ABC-type half-Heusler compounds are natural over-stoichiometry. In this work, Cu interstitial defects are intentionally introduced to optimize the electrical and thermal transport properties of ZrNiSn compound. The correlations between the phase structure, microstructure, and thermoelectric properties of ZrNiCuxSn (x = 0-0.20) are investigated using various techniques.
MATERIALS TODAY PHYSICS
(2023)
Article
Engineering, Electrical & Electronic
Sushmitha P. Rao, Ajay Kumar Saw, Chanderbhan Chotia, Vijay Pal Verma, V. C. Petwal, Jishnu Dwivedi, Gunadhor Okram, Vijaylakshmi Dayal
Summary: This study investigates the influence of electron beam irradiation on the structural and transport properties of Bi1.2Pb0.33Sr1.54Ca2.06Co3Oy misfit cobalties. The X-ray diffraction patterns reveal a misfit-layered crystal structure composed of two monoclinic subsystems with different b-axis lengths. The irradiation causes changes in lattice parameters, increasing the misfit and leading to a decrease in resistivity and an increase in the Seebeck coefficient. The highest power factor is observed in the 50kGy EB-irradiated sample, making it a promising material for thermoelectric device applications.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
