Article
Chemistry, Physical
Jianping Lin, Yahui Hu, Lijun Pan, Ke Xie, Lingzhi Ma, Shulin Zhang, Zhao Wang, Mi Lu, Guanjun Qiao
Summary: The researchers discovered that Zn4Sb3 material can be repaired in terms of its thermoelectric performance and stability through the reversible migration of Zn ions under certain conditions, providing flexibility for its various applications.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Karl F. F. Fischer, Josephine H. Bjerg, Lasse R. Jorgensen, Bo B. Iversen
Summary: The addition of TiO2 nanoparticles in pressed pellets of beta-Zn4Sb3 does not prevent zinc migration, although it does affect thermal conductivity and electrical resistivity. However, the overall zT remains unchanged. The inclusion of TiO2 nanoparticles lowers the degradation rate by up to 75%, but long-term stability is not achieved.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
J. Lin, L. Ma, Q. Liu, K. Xie, Y. Hu, L. Zhang, S. Li, M. Lu, G. Qiao
Summary: This study found that Zn4Sb3 material undergoes a continuous phase transition within a specific temperature range, resulting in a significant improvement in thermoelectric performance. Experiments and analysis revealed that, during the continuous phase transition, there were changes in the crystal structure of Zn4Sb3, which in turn affected its thermoelectric properties.
MATERIALS TODAY ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Jie Zheng, Yu Tang, Yujie Xiang, Yonggui Tao, Kaiyuan Shen, Lanxian Shen, Wen Ge, Peizhi Yang, Shukang Deng
Summary: In this research, Na/Ga codoped beta-Zn4Sb3 with high thermoelectric performance and stability was successfully synthesized. By optimizing the carrier concentration, the power factor of the Ga-doped sample was significantly improved, reaching a maximum value of 2.28 x 10-3 W m-1 K-2 at 690 K. Moreover, the TG-DSC and oxidation resistance tests demonstrated the good stability of the Na/Ga codoped beta-Zn4Sb3 material. This work provides an attractive method for enhancing the thermoelectric properties and stability of beta-Zn4Sb3 through diatomic doping.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Jiali Chen, Lanxian Shen, Wenting Liu, Yu Tang, Jianhua Lu, Luqi Sun, Wen Ge, Peizhi Yang, Shukang Deng
Summary: In this study, beta-Zn4Sb3 material was prepared by using the NaCl-flux method, allowing effective regulation of carrier concentration. The resulting samples exhibited good thermoelectric performance due to high power factor and low thermal conductivity, with a maximum ZT value of 1.4 at 673K.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Jiang-Jing Wang, Suyang Sun, Lu Lu, Hongchu Du, Chun-Lin Jia, Oana Cojocaru-Miredin, Jian Yang, Guiwu Liu, Chongjian Zhou, Guanjun Qiao, Zhongqi Shi, En Ma, Bangzhi Ge, Yuan Yu, Matthias Wuttig, Wei Zhang
Summary: A design strategy to stabilize the excess zinc ions in β-Zn4Sb3 material and achieve a homogeneous distribution of zinc interstitials has been presented. This design strategy not only improves the carrier mobility and conductivity but also leads to excellent thermoelectric performance of the material.
Article
Chemistry, Physical
Peter Skjott Thorup, Rasmus Stubkjaer Christensen, Martin Roelsgaard, Bo Brummerstedt Iversen
Summary: The segmented beta-Zn4Sb3 pellets with ion-blocking steel interfaces exhibit improved stability under thermoelectric operating conditions, as shown by quantitative phase analysis and microstructure analysis.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Nanoscience & Nanotechnology
Pegah Ghamari, Muhammad Rizwan Niazi, Dmytro F. Perepichka
Summary: This study demonstrates that intentional doping of a benchmark p-type semiconducting polymer (DPP-DTT) with 2,4,5,7-tetranitrofluorenone (TeNF) can significantly improve the operational and environmental stability of organic field-effect transistors (OFETs). Doping suppresses electron-induced traps and increases hole mobility in an oxygen-rich environment, while mitigating water-induced traps and shifting the threshold voltage. The doped OFETs exhibit environmentally independent performance and superior long-term stability for up to 4 months in ambient air due to enhanced microstructural order.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Engineering, Electrical & Electronic
Shunxu Li, Quan Liu, Shihui Chen, Yifan Wu, Xin Zhou, Xu Chen, Mi Lu, Jianping Lin
Summary: A thermoelectric generator (TEG) is a device that uses the temperature difference between thermoelectric materials to generate electricity. In this study, the properties of Zn4Sb3 and In4Se3 thermoelectric materials were evaluated and found to be more suitable for TEGs compared to BiTe. The developed ZnSb/InSe-based TEG showed higher output power and conversion efficiency, making it a promising option for practical engineering applications.
JOURNAL OF ELECTRONIC MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Jie Zheng, Jiali Chen, Yu Tang, Kaiyuan Shen, Yujie Xiang, Lanxian Shen, Wen Ge, Peizhi Yang, Shukang Deng
Summary: In this study, beta-Zn4Sb3 material was prepared using the Zn-NaCl mixed-flux method. The crystal structure, conduction behavior, and thermal conductivity of the samples were investigated. The results showed that the samples had a hexagonal rhombic crystal structure, exhibited p-type conduction behavior, and had a decrease in thermal conductivity with increased Na content.
JOURNAL OF ELECTRONIC MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
I-Lun Jen, Chia-Shien Lin, Kuang-Kuo Wang, Hsin-Jay Wu
Summary: By introducing a low concentration of aluminum (Al) into Zn4Sb3, highly stable Al-Zn4Sb3 was achieved, exhibiting a conversion efficiency of 3% at a temperature difference of 225 K. The combination of dilute cationic doping and phase diagram engineering solidifies the potential of Zn4Sb3 as an efficient and sustainable green energy device.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Shenlong Zhong, Keke Liu, Yusong Duan, Qingjie Zhang, Jinsong Wu, Xianli Su, Xinfeng Tang
Summary: In doping modifies the crystal structure of Zn4Sb3, enhancing thermoelectric performance. By optimizing the Zn and In content, the thermoelectric performance of Zn4Sb3 compounds is effectively improved.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Physical
Jingyun Guo, Wenhao Fan, Yaning Wang, Yachao Wang, Jie Chen, Yu Jiang, Shaoping Chen
Summary: By optimizing the material and interface structure of Te-based thermoelectric joints, the research successfully enhanced the thermal efficiency of thermoelectric material Te0.985Sb0.015 to 0.95, and introduced Ni and Cu to improve the interface stability, ensuring the stability of the joints.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Shantanu Misra, Adele Leon, Petr Levinsky, Jiri Hejtmanek, Bertrand Lenoir, Christophe Candolfi
Summary: Pb doping in InTe semiconductor enhances thermoelectric performance by reducing lattice thermal conductivity and increasing power factor, resulting in improved thermoelectric properties.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
Qiangqiang Wang, Shuo Ding, Siliang He, Ting Zhang, Lei Qian, Peng Xiao, Tao Chen, Chaoyu Xiang
Summary: This study demonstrates the feasibility of significant stability improvement for PeLEDs using a simple cation engineering strategy, in which long-chain phenylbutanammonium is used to effectively suppress ion migration inside the PeLEDs.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Magnus Klove, Sanna Sommer, Bo B. Iversen, Bjork Hammer, Wilke Dononelli
Summary: A machine learning model incorporating density functional theory calculations and comparison of PDFs can be used to determine the crystal structure of unknown compounds, allowing for the identification of metastable configurations and stacking disorders.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Jonas Ruby Sandemann, Thomas Bjorn Egede Gronbech, Kristoffer Andreas Holm Stockler, Feng Ye, Bryan C. Chakoumakos, Bo Brummerstedt Iversen
Summary: ZnFe2O4 exhibits spin-glass transition and has dominant ferromagnetic and antiferromagnetic correlations. The 3D-m Delta PDF method is used to visualize the local magnetic ordering preferences.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Nils Lau Nyborg Broge, Andreas Dueholm Bertelsen, Frederik Sondergaard-Pedersen, Bo Brummerstedt Iversen
Summary: High-entropy alloys (HEAs) are a promising class of materials with extraordinary properties and customization potential through stoichiometry changes. This study presents a solvothermal method for synthesizing eight-component Pt-Ir-Pd-Rh-Ru-Cu-Ni-Co nano-HEA nanoparticles, which can be produced in large quantities. The method relies on simple autoclaves and in situ X-ray scattering experiments suggest auto-catalyzed growth of the particles, extending understanding of HEA nanomaterials.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Peter Skjott Thorup, Rasmus Stubkjaer Christensen, Martin Roelsgaard, Bo Brummerstedt Iversen
Summary: The segmented beta-Zn4Sb3 pellets with ion-blocking steel interfaces exhibit improved stability under thermoelectric operating conditions, as shown by quantitative phase analysis and microstructure analysis.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Jonas Beyer, Thomas Bjorn Egede Gronbech, Jiawei Zhang, Kenichi Kato, Bo Brummerstedt Iversen
Summary: The electron density and thermal motion of diamond were studied using synchrotron powder X-ray diffraction. The thermal motion was decoupled from the electron density using theoretical static structure factors from density functional theory calculations. The results showed harmonic and isotropic thermal motion, and good agreement was observed between experimental atomic displacement parameters and calculations. The Debye temperature of diamond was experimentally determined to be 1883 (35) K. The temperature dependence of the electron density at the bond critical point was found to be constant throughout the temperature range, confirming the validity of the crystallographic convolution approximation for diamond.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Lise Joost Stockler, Lennard Krause, Bjarke Svane, Kasper Tolborg, Bo Richter, Seiya Takahashi, Tomoki Fujita, Hidetaka Kasai, Michihiro Sugahara, Ichiro Inoue, Eiji Nishibori, Bo Brummerstedt Iversen
Summary: Despite the scientific possibilities, the application of serial femtosecond crystallography for small-unit-cell systems has been limited due to the lack of reliable data reduction methods. However, a data reduction pipeline capable of fully automated handling has been developed, allowing successful reduction and structure solving of a compound. The pipeline is expected to open up new research opportunities in small-unit-cell serial femtosecond crystallography experiments.
Article
Chemistry, Multidisciplinary
Jiawei Zhang, Daisuke Ishikawa, Michael M. Koza, Eiji Nishibori, Lirong Song, Alfred Q. R. Baron, Bo B. Iversen
Summary: We have revealed the correlation between loosely bonded atoms and strong anharmonicity in thermoelectric material InTe, using chemical bonding analysis, inelastic X-ray and neutron scattering, and first principles phonon calculations. Our findings indicate that highly anharmonic phonons in InTe arise from the covalency between delocalized In1+ 5s(2) lone pair electrons and Te 5p states. This work provides insights into the microscopic origin of strong anharmonicity in rattling atoms and has implications for designing efficient thermoelectric materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Applied
Karl F. F. Fischer, Bjarke B. Demant, Lasse R. Jorgensen, Bo B. Iversen
Summary: Ruthenium arsenide can be made p-type by adding germanium, and it has a wide substitution range without affecting stability. RuAs2-xGex (x = 0.02, 0.04, 0.08, 0.16, 0.32, and 0.64) shows that the saturation limit of germanium is between 0.16 and 0.32. The electrical contribution to thermoelectric performance is greatly improved with a power factor of 1.03 mW/(m K-2). However, the lattice rigidity is not affected by substitution, as the Debye temperature remains around 420 K, resulting in a modest maximum zT of 0.11.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Sajesh P. Thomas, Anna Worthy, Espen Z. Eikeland, Amy J. Thompson, Arnaud Grosjean, Kasper Tolborg, Lennard Krause, Kunihisa Sugimoto, Mark A. Spackman, John C. McMurtrie, Jack K. Clegg, Bo B. Iversen
Summary: This article reports a mechanically flexible one-dimensional coordination polymer that exhibits elastic bending. By utilizing various techniques including XRD, high-pressure crystallography, synchrotron micro-XRD mapping, and high-resolution synchrotron X-ray charge density analysis, the inter and intra-chain bonding as well as structural flexibility were quantitatively investigated. The results reveal that the helical coordination polymer behaves like a spring when subjected to external stimuli. The exceptional coordination sphere flexibility, attributed to the presence of Jahn-Teller distorted coordination bonds, contributes to the polymer's flexibility.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Brian Dusolle, Veronique Jubera, Evgeniy S. Ilin, Patrick Martin, Gilles Philippot, Matthew R. . Suchomel, Bo B. Iversen, Samuel Marre, Cyril Aymonier
Summary: Extensive research on nanosized ZnO finds its optical properties challenging to control due to various possible defects producing emissions in the visible range. A low-temperature, supercritical-fluid-driven synthesis proposed by our group produces isotropic nanosized particles with a pure excitonic emission comparable to single crystals. This article reports the growth mechanism and optical properties of the excitonic emission, as well as its phonon coupling with the E2 high vibrational mode at liquid helium temperatures.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Nikolaj Roth, Bo Brummerstedt Iversen
Summary: The superionic conductor Cu2-xSe has been studied and the large vibrations with extreme anharmonicity of Cu ions within a tetrahedron-shaped volume in the structure have been observed. The analysis of electron density suggests infrequent jumps between sites, supporting recent quasi-elastic neutron scattering data and challenging the phonon-liquid picture. The low thermal conductivity is likely not caused by the diffusion of Cu ions.
Article
Chemistry, Multidisciplinary
Martin Roelsgaard, Magnus Klove, Rasmus Christensen, Andreas D. Bertelsen, Nils L. N. Broge, Innokenty Kantor, Daniel Risskov Sorensen, Ann-Christin Dippel, Soham Banerjee, Martin V. Zimmermann, Philipp Glaevecke, Olof Gutowski, Mads Ry Vogel Jorgensen, Bo Brummerstedt Iversen
Summary: Understanding nucleation and growth mechanisms in hydro- and solvothermal conditions is crucial for tailoring functional nanomaterials. High-energy synchrotron radiation enables real-time characterization of nanocrystals using powder X-ray diffraction and X-ray total scattering. Recent developments in in situ setups at PETRA III and MAX IV beamlines allow for studying nucleation and growth phenomena in solvothermal synthesis, providing data for Rietveld refinement and pair distribution function refinement within 4 ms.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Physical
Lise Joost Stockler, Rasmus Stubkjaer Christensen, Magnus Klove, Andreas Dueholm Bertelsen, Anders Baek Borup, Lennard Krause, Seiya Takahashi, Tomoki Fujita, Hidetaka Kasai, Ichiro Inoue, Eiji Nishibori, Bo Brummerstedt Iversen
Summary: Promising results were obtained from PDF analysis using X-ray scattering data on a suspension of HfO2 nanoparticles measured at the SACLA XFEL facility. The study encourages further research in ultrafast structural science.
Article
Chemistry, Multidisciplinary
Jonas Ruby Sandemann, Kristoffer Andreas Holm Stockler, Xiaoping Wang, Bryan C. Chakoumakos, Bo Brummerstedt Iversen
Summary: Accurate structural models are crucial for understanding the structure-property relationships in functional materials. This study focuses on the complex crystal structures of spinels and establishes a benchmark crystal structure for defect-free spinel ferrite ZnFe2O4. Various diffraction techniques are used to provide reference data for testing and refining structural models. The results demonstrate the significance of atomic displacement parameters in accurately describing the cation inversion in spinel-type materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Ida Gjerlevsen Nielsen, Magnus Klove, Martin Roelsgaard, Ann-Christin Dippel, Bo Brummerstedt Iversen
Summary: In this study, the formation mechanisms and crystal structure transformations of gallium oxides during solvothermal synthesis were investigated using in situ X-ray diffraction. It was found that the formation mechanism of γ-Ga2O3 involves the transformation from γ-Ga2O3 to β-Ga2O3, while GaOOH and Ga5O7OH form in aqueous solvent at low temperatures. The properties of the resulting products can be controlled by adjusting synthesis parameters such as temperature, heating rate, solvent and reaction time.