Article
Nanoscience & Nanotechnology
Tian Yu, Suiting Ning, Qian Liu, Tingting Zhang, Xiangbin Chen, Ning Qi, Xianli Su, Xinfeng Tang, Zhiquan Chen
Summary: In this study, the conduction type and thermoelectric performance of CuAgSe were tuned by manipulating the cation vacancies. Increasing the CuAg content effectively suppressed the cation vacancies and reduced the hole carrier concentration, resulting in n-type conduction. Doping with Zn at the Cu sublattice further decreased the vacancies, leading to improved carrier mobility and enhanced thermoelectric performance of n-type CuAgSe. On the other hand, decreasing the CuAg content introduced more cation vacancies, achieving high-performance p-type CuAgSe. The maximum zT values reached 0.84 for Cu1.01Ag1.02Zn0.01Se (n-type) at 600 K and 1.05 for (CuAg)(0.96)Se (p-type), with average zT values of 0.77 and 0.94 between 470 and 630 K for n-type and p-type, respectively.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Yongbin Zhu, Zhijia Han, Feng Jiang, Erting Dong, Bo-Ping Zhang, Wenqing Zhang, Weishu Liu
Summary: Our research reveals the significant enhancement of thermoelectric performance by self-compensatory doping, providing a theoretical guideline for designing novel thermoelectric materials.
MATERIALS TODAY PHYSICS
(2021)
Article
Engineering, Environmental
Tianyao Weng, Zhili Li, Yang Li, Yao Hu, Kai Guo, Tao Liu, Jianxin Zhang, Wanyu Lyu, Lili Xi, Xinxin Yang, Ying Jiang, Jiong Yang, Jiye Zhang, Jun Luo
Summary: Vacancy engineering offers an effective approach to optimize the carrier concentration in thermoelectric materials, leading to improved thermoelectric performance by manipulating the vacancies in the material.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Tingdong Zhang, Wenfeng Pan, Suiting Ning, Ning Qi, Zhiquan Chen, Xianli Su, Xinfeng Tang
Summary: Synergetic optimization of electrical and thermal transport properties is achieved by Gd doping in SnTe-based nano-crystalline materials. It suppresses Sn vacancy, leading to optimal hole carrier concentration and improved electrical transport performance. Additionally, Gd doping enhances phonon scattering, reduces lattice thermal conductivity, and contributes to the superior thermoelectric performance.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yongbin Zhu, Erting Dong, Zhijia Han, Feng Jiang, Jiehe Sui, Wenqing Zhang, Weishu Liu
Summary: Atomic disordering was maximized in Mg2-delta Sn1-xBix through charge self-compensation and steric effects, leading to a significantly low lattice thermal conductivity. The Mg2-delta Sn0.8Bi0.2 sample showed a high ZT of 1.14 at 500 degrees C, indicating the effectiveness of tuning thermoelectric transport properties through atomic disorder strategy.
Article
Materials Science, Multidisciplinary
Yuxi Wang, Shuai Liu, Zhen Wu, Guoliang Liu, Xin Yang, Tianqi Wei, Qianjin Wang, Yu Ye, Deyu Li, Jia Zhu
Summary: Elemental doping is essential for tuning thermoelectric properties. Effective doping has been achieved using a vacancy-engineering strategy for two-dimensional materials, such as van der Waals tellurium. This approach improves the thermoelectric properties significantly, demonstrating a promising pathway for tuning thermoelectric properties in low dimensional materials.
MATERIALS TODAY PHYSICS
(2021)
Article
Chemistry, Physical
Sitong Wei, Boyi Wang, Zipei Zhang, Wenhao Li, Lu Yu, Shikai Wei, Zhen Ji, Weiyu Song, Shuqi Zheng
Summary: In this study, Cu3SbSe4/TiO2 hollow microspheres were synthesized using a microwave-assisted hydrothermal synthesis method. The doping of Ti was found to significantly change the band structure and phonon spectrum, leading to the regulation of carrier concentration and increased phonon scattering. The incorporation of TiO2 nanoparticles also resulted in an energy filtering effect that suppressed the decrease of the Seebeck coefficient. As a result, the Cu3SbSe4/6%TiO2 sample exhibited the highest average power factor and peak zT value.
JOURNAL OF MATERIOMICS
(2022)
Article
Materials Science, Multidisciplinary
Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen, Shan Li, Feng Cao, Jun Mao, Cuiping Wang, Jiehe Sui, Xingjun Liu, Qian Zhang
Summary: The defective half-Heusler compound Nb1-xCoSb has been identified as a promising thermoelectric material through modification of vacancies. The equilibrium vacancy concentration of Nb1-xCoSb was determined using experimental phase diagram and CALPHAD method, and computationally extrapolated to the entire composition and temperature range.
Article
Chemistry, Physical
Yamin Feng, Lingling Sun, Zhiwen Qi, Yan Zhang, Gaoliang Wang, Wenning Gao, Weifeng Liu
Summary: This study demonstrates an effective strategy to enhance the electrochemical performance of CoO by introducing multiple defects, improving the electrical conductivity and redox activity.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Wei Zhou, Hezhang Li, Zhihang Shan, Rui Zhang, Shikuo Lu, Jun Pei, Zhenhua Ge, Min Zhou, Yuanbing Wang, Boping Zhang
Summary: A series of Cu1.8S and MnxCu1.8-S0.5Se0.5 bulk samples were prepared through mechanical alloying and spark plasma sintering. By alloying with Se and doping with Mn, the configuration entropy and electrical stability of the samples were improved. Cu migration was inhibited by filling the excessive Cu vacancies, reducing carrier concentration, and adjusting the band structure.
SCIENCE CHINA-MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Meiling Yang, Xiaofang Liu, Bin Zhang, Yao Chen, Hengyang Wang, Jian Yu, Guoyu Wang, Jingtao Xu, Xiaoyuan Zhou, Guang Han
Summary: A series of Cu2-xS materials were synthesized by changing the CuCl/Na2S molar ratio, leading to improvements in electrical properties with the 1.75:1 molar ratio sample achieving a good power factor at 815K.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Environmental
Jianbo Li, Yanxia Wang, Xiong Yang, Huijun Kang, Zhiqiang Cao, Xue Jiang, Zongning Chen, Enyu Guo, Tongmin Wang
Summary: By doping La and generating stable oxygen vacancies, the study successfully transformed CaTiO3 into a material with outstanding TE properties. The La-doped samples exhibited significantly enhanced power factor over a broad temperature range and achieved a higher zT value.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Nanoscience & Nanotechnology
Ji-Eun Lee, Kyoo Kim, Van Quang Nguyen, Jinwoong Hwang, Jonathan D. Denlinger, Byung Il Min, Sunglae Cho, Hyejin Ryu, Choongyu Hwang, Sung-Kwan Mo
Summary: The thermoelectric performance of SnSe is strongly influenced by the low-energy electron band structure, which provides a high density of states in a narrow energy range due to the multi-valley valence band maximum (VBM). The binding energy of the VBM in SnSe is found to be tuned by the population of Sn vacancies, which is determined by the cooling rate during sample growth, as revealed by angle-resolved photoemission spectroscopy measurements and first-principles calculations. The shift in VBM closely correlates with the thermoelectric power factor, while the effective mass remains largely unchanged with variations in Sn vacancy population. These findings demonstrate that the low-energy electron band structure plays a crucial role in the high thermoelectric performance of hole-doped SnSe, offering a promising route to engineering intrinsic defect-induced thermoelectric performance through sample growth conditions without requiring additional ex-situ processes.
Article
Materials Science, Multidisciplinary
Shan Li, Shuaihang Hou, Wenhua Xue, Li Yin, Yijie Liu, Xiaodong Wang, Chen Chen, Jun Mao, Qian Zhang
Summary: The high-temperature cubic phase of AgBiSe2 has shown promising thermoelectric performance. This study reveals that alloying SnSe can stabilize the cubic phase at room temperature. However, the pure cubic phase suffers from decreased carrier concentration, mobility, and aggravated bipolar effect, leading to deteriorated thermoelectric properties. In contrast, the room-temperature rhombohedral AgBiSe2 exhibits improved thermoelectric properties due to decreased thermal conductivity and increased power factor. Reducing Se content further enhances the power factor in Ag0.94Bi0.94Sn0.06Se1.92. This work provides a novel strategy for optimizing thermoelectric performance of AgBiSe2 material.
MATERIALS TODAY PHYSICS
(2022)
Article
Chemistry, Physical
Hongtao Wang, Haoqin Ma, Bo Duan, Huiyuan Geng, Ling Zhou, Jialiang Li, Xiaolian Zhang, Houjiang Yang, Guodong Li, Pengcheng Zhai
Summary: A high-pressure method was developed for the preparation of high-performance silver sulfide materials with reduced preparation temperature and short time, showing porous structures and Ag vacancy defects that play important roles in optimizing carrier concentration and thermal conductivities.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Krishnendu Maji, Pierric Lemoine, Adele Renaud, Bin Zhang, Xiaoyuan Zhou, Virginia Carnevali, Christophe Candolfi, Bernard Raveau, Rabih Al Rahal Al Orabi, Marco Fornari, Paz Vaqueiro, Mathieu Pasturel, Carmelo Prestipino, Emmanuel Guilmeau
Summary: In this study, the n-type sulfide CuPbBi5S9 was synthesized with an ultralow thermal conductivity. It was found that the low thermal conductivity is attributed to the low energy optical modes associated with Pb and Bi ions and, to a lesser extent, Cu. Although the semiconductor properties of this sulfide are not ideal, it shows potential as a matrix for designing novel n-type thermoelectric compounds with ultralow thermal conductivity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Energy & Fuels
Robert Freer, Dursun Ekren, Tanmoy Ghosh, Kanishka Biswas, Pengfei Qiu, Shun Wan, Lidong Chen, Shen Han, Chenguang Fu, Tiejun Zhu, A. K. M. Ashiquzzaman Shawon, Alexandra Zevalkink, Kazuki Imasato, G. Jeffrey Snyder, Melis Ozen, Kivanc Saglik, Umut Aydemir, Raul Cardoso-Gil, E. Svanidze, Ryoji Funahashi, Anthony V. Powell, Shriparna Mukherjee, Sahil Tippireddy, Paz Vaqueiro, Franck Gascoin, Theodora Kyratsi, Philipp Sauerschnig, Takao Mori
Summary: This paper presents tables of key thermoelectric properties for a wide range of inorganic materials. These tables provide a reference for comparing the performance of different materials.
JOURNAL OF PHYSICS-ENERGY
(2022)
Article
Energy & Fuels
Alaa Aldowiesh, Panagiotis Mangelis, Paz Vaqueiro, Anthony Powell
Summary: This study investigates the impact of replacing the closed-shell ion Zn2+ with the magnetically active Fe2+ cation in copper-based p-type chalcogenide semiconductors. The results show that excess copper ions lead to the formation of holes and improve the electrical resistivity and thermoelectric performance of the iron-containing materials. Compared to zinc-containing materials, the iron-containing materials exhibit lower electrical resistivity and higher figures-of-merit.
JOURNAL OF PHYSICS-ENERGY
(2022)
Article
Chemistry, Physical
Sahil Tippireddy, Feridoon Azough, Vikram, Frances Towers Tompkins, Animesh Bhui, Robert Freer, Ricardo Grau-Crespo, Kanishka Biswas, Paz Vaqueiro, Anthony V. Powell
Summary: Substitution was used to enhance the thermoelectric performance of chalcopyrite, leading to an improved power factor and reduced lattice thermal conductivity. The substituted materials showed high Seebeck coefficient, high electrical conductivity, and a 3-fold increase in power factor. This study provides a mechanism for scattering phonons and achieving a higher figure-of-merit.
CHEMISTRY OF MATERIALS
(2022)
Article
Crystallography
Yunhe Cai, Ann M. Chippindale, Paz Vaqueiro
Summary: Two new hybrid iodobismuthates with different crystal structures and optical properties have been synthesized using solvothermal methods.
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Inorganic & Nuclear
Shriparna Mukherjee, Anthony Powell, David J. Voneshen, Paz Vaqueiro
Summary: The effect of partial cation substitutions and deviations from the ideal Cu:Fe ratio on the thermoelectric properties of talnakhite has been investigated. The results show that talnakhite has a narrow range of compositional stability. The copper-poor phases exhibit slightly higher thermoelectric coefficients and reduced thermal conductivity, making them potential candidates for near room-temperature thermoelectric applications.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Virginia Carnevali, Shriparna Mukherjee, David J. Voneshen, Krishnendu Maji, Emmanuel Guilmeau, Anthony V. Powell, Paz Vaqueiro, Marco Fornari
Summary: Understanding the relationship between crystal structure, chemical bonding, and lattice dynamics is crucial for designing materials with low thermal conductivities. The bismuthinite-aikinite series has been identified as a family of n-type semiconductors with exceptionally low lattice thermal conductivities. This study investigates the structure, electronic properties, and vibrational spectrum of aikinite to explain its ultralow thermal conductivity, which is close to the minimum for amorphous and disordered materials. The results show that the rotating lone pairs and vibrational motion are an effective mechanism to achieve ultralow thermal conductivity in crystalline materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Shriparna Mukherjee, David J. Voneshen, Andrew Duff, Pooja Goddard, Anthony V. Powell, Paz Vaqueiro
Summary: A new behavior called "incipient ionic conduction" is discovered, which leads to materials with ultralow thermal conductivity. By studying the well-known thermoelectric material tetrahedrite, it is found that copper ions are mobile at temperatures above 200K but mostly confined to cages within the crystal structure, avoiding undesirable migration. These findings provide new insights for designing materials with ultralow thermal conductivity.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Jesus Prado-Gonjal, Paz Vaqueiro, Radoslaw M. Kowalczyk, Ronald I. Smith, Anthony V. Powell
Summary: Lithium was incorporated as a filler in Co1-2xFexNixSb3 skutterudite compounds through intercalation at 60℃, using n-BuLi as a reducing agent. The presence of lithium in the product phases was confirmed by solid state Li-7 NMR and ICP-MS analysis, which also provided an estimation of the lithium content. The intercalation of lithium resulted in reductions in thermal conductivity and electrical resistivity, as well as an increase in the figure of merit.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2023)
Article
Chemistry, Physical
Sahil Tippireddy, Feridoon Azough, Animesh Bhui, Iuliia Mikulska, Robert Freer, Kanishka Biswas, Paz Vaqueiro, Anthony V. Powell
Summary: CuFeS2 is a promising n-type thermoelectric candidate for low-grade waste heat recovery. In this study, chromium-containing CuFeS2 materials were synthesized, resulting in the formation of a composite with Cr-rich precipitates embedded in the CuFeS2 matrix. By reducing a portion of Fe(3+) ions to Fe2+, the Cu:Fe ratio of the CuFeS2 phase was altered, indirectly affecting the electrical properties. Additionally, the presence of nano-sized precipitates and dislocations significantly reduced the lattice thermal conductivity, resulting in an enhanced thermoelectric figure-of-merit.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Sahil Tippireddy, Feridoon Azough, Vikram, Animesh Bhui, Philip Chater, Demie Kepaptsoglou, Quentin Ramasse, Robert Freer, Ricardo Grau-Crespo, Kanishka Biswas, Paz Vaqueiro, Anthony Powell
Summary: Partial substitution of germanium in chalcopyrite leads to an enhancement of thermoelectric properties due to local structural distortion, lattice softening, and the appearance of resonant phonon modes. The weak chemical bonding of germanium with sulphur also contributes to a high Seebeck coefficient and an improvement in the power factor.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)