Article
Engineering, Environmental
Ruonan Min, Yanxia Wang, Xue Jiang, Rongchun Chen, Huijun Kang, Enyu Guo, Zongning Chen, Xiong Yang, Tongmin Wang
Summary: By doping Nb into ZrNiSn-based compounds, the thermoelectric and mechanical properties have been significantly improved, with enhanced power factor and reduced thermal conductivity. This research demonstrates the potential for industrial applications.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Physics, Applied
Kaiyang Xia, Chaoliang Hu, Chenguang Fu, Xinbing Zhao, Tiejun Zhu
Summary: Half-Heusler compounds with 18 valence electrons are considered promising high-temperature thermoelectric materials, while nominal 19-electron compounds have gained popularity due to their unexpected high performance. The focus is now on the discovery and challenges of cation-deficient 19-electron half-Heusler compounds with vacancy-related short-range order, offering insights into defect-tailored thermoelectric properties.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Rahidul Hasan, Yan Gu, Se Yun Kim, Dong Won Chun, Kyu Hyoung Lee
Summary: A simple and scalable compositional tuning method is proposed to enhance the thermoelectric conversion efficiency (ZT) of double half-Heusler (DHH) materials by generating full-Heusler (FH) nanoprecipitates. The results reveal that FH nanoprecipitates can substantially intensify the phonon scattering and achieve an ultra-low lattice thermal conductivity of about 0.9 W m(-1) K(-1) at 973 K in Ti2FeNiSb2. Additionally, the presence of FH nanoprecipitates improves the electronic transport properties by filtering low-energy carriers.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Materials Science, Multidisciplinary
Yuhit Gupta, M. M. Sinha, S. S. Verma
Summary: The emergent passion for half-Heusler alloys is driven by their drastic thermoelectric properties for spintronics applications. A detailed study of the elastic, mechanical, and thermodynamical properties of the novel half-Heusler alloy 'AlNiP' using Density Functional Theory (DFT) and semi-classical Boltzmann transport theory has been conducted, providing insight into its stability, metallic bonding, and performance under different temperatures. The computational appraisal includes evaluations of elastic properties, thermodynamic calculations, and estimates of key parameters like Seebeck coefficient, lattice thermal conductivity, and figure of merit, paving the way for potential experimental research and applications.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Haonan Ding, Xiaohua Li, Yu Feng, Bo Wu
Summary: The study investigates the electronic structure and magnetism of a new type of half-Heusler alloy, Mn2FeCoSi2, revealing its ferrimagnetic nature and stable half metallicity. Different disorder structures show varying levels of spin polarization, with Mn2FeCoSi2 demonstrating robust half metallicity against atomic disorder.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Xiong Yang, Daquan Liu, Jianbo Li, Ruonan Min, Huijun Kang, Linwei Li, Zongning Chen, Enyu Guo, Tongmin Wang
Summary: The top-down method was used to fabricate TiNi1+xSn half-Heusler alloy, which effectively improved the thermoelectric performance of the material by solving multiple issues, leading to a significant enhancement in the dimensionless figure of merit (ZT).
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Physics, Applied
Jabbar M. Khalaf Al-zyadi, Wed A. Abed, Ahmed Hamad Ati
Summary: This paper discusses the properties of half-Heusler alloy KCaB and finds differences in performance under different doping conditions.
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
(2021)
Article
Chemistry, Physical
Junsang Cho, Taegyu Park, Ki Wook Bae, Hyun-Sik Kim, Soon-Mok Choi, Sang-il Kim, Sung Wng Kim
Summary: The addition of titanium can effectively reduce the grain size of Hf0.5Zr0.5NiSn0.98Sb0.02 half-Heusler compound, resulting in extremely low lattice thermal conductivity across the entire temperature range, and achieving the maximum thermoelectric figure of merit at 800 K.
Article
Chemistry, Physical
Anirudha Karati, Soumya Ranjan Mishra, Sanyukta Ghosh, Ramesh Chandra Mallik, Rajashekhara Shabadi, R. V. Ramanujan, Satyesh Kumar Yadav, B. S. Murty, U. V. Varadaraju
Summary: A new type of high entropy alloy Ti2NiCoSnSb with half-Heusler structure has been synthesized for the first time. It was found that the desired single-phase HH material can be obtained through dry milling, which exhibited simultaneous enhancement in the Seebeck coefficient and electrical conductivity. Moreover, the band structure calculated by density functional theory was in good agreement with the experimental results, and phase separation strongly influenced the thermoelectric properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Energy & Fuels
Chalchisa Getachew Adamo, Ashutosh Srivastava, Surafel Shiferaw Legese, Yoshihito Kawamura, Ayansa Tolesa Serbesa, Sreeram Punathil Raman, Femi Emmanuel Olu, Chandra Sekhar Tiwary, Abhishek Kumar Singh, Kamanio Chattopadhyay
Summary: This study introduces a pioneering high-entropy half-Heusler alloy, ZrTiNiFeSnSb, which significantly reduces the lattice thermal conductivity through phonon scattering from multiple elements. It shows elevated electrical conductivity and a moderate Seebeck coefficient, making it a promising thermoelectric material.
Article
Chemistry, Physical
Blair F. Kennedy, Simon A. J. Kimber, Stefano Checchia, A. K. M. Ashiquzzaman Shawon, Alexandra Zevalkink, Emmanuelle Suard, Jim Buckman, Jan-Willem G. Bos
Summary: Using mixtures of aliovalent elements to achieve a valence balanced electronic state is a rapidly emerging area in half-Heusler thermoelectric materials research. The study introduces Zn0.5Ti0.5NiSb as a promising material that can be made p- and n-type by adjusting the Zn/Ti-ratio, achieving high zT values. Transport data and diffraction experiments reveal a low lattice thermal conductivity and similar weighted electronic mobilities, indicating the potential for similar zT values in both polarity types.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Dhurba R. Jaishi, Sujit Bati, Nileema Sharma, Bishnu Karki, Bishnu P. Belbase, Madhav Prasad Ghimire
Summary: Thermoelectric phenomena provide an alternative solution to the energy crisis by utilizing waste heat energy, and this study investigates the properties of rhodium-based half-Heusler alloys and finds that p-type doping improves the thermoelectric properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Crystallography
Junhong Wei, Yongliang Guo, Guangtao Wang
Summary: In this study, the electronic structure and properties of ScRhTe were investigated using density functional theory calculations. It was found that ScRhTe is a narrow-band-gap semiconductor, with higher Seebeck coefficient and power factor for n-type doping. The pressure has a significant effect on the band gap and properties of ScRhTe, with improved thermoelectric properties under compressive pressure and improved optical properties under tensile pressure.
Article
Materials Science, Multidisciplinary
Kumar Saurabh, Vineet Kumar Pandey, Ankit Kumar, Prasenjit Ghosh, Surjeet Singh
Summary: Half-Heusler alloys have the potential to be used as mid-to-high temperature range thermoelectric materials due to their high power factor and solid structural stability. However, the high lattice thermal conductivity of these materials hinders their practical applications. In this study, we investigate the effects of excess Nb and Sn doping in defective half-Heuslers and show that Sn doping allows for a finer control of carrier concentration and a higher concentration of Nb in the structure. The optimized carrier concentration and changes in the band structure lead to suppression of bipolarity and enhancement of thermopower at high temperatures, resulting in a high zT value exceeding 1 at 1100 K. This value is approximately 15% higher than the highest zT previously reported.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Nisha, Hardev S. Saini, Sunita Srivastava, Manish K. Kashyap
Summary: The study investigates the structural, electronic, and transport properties of Half-Heusler compound TaIrGe under different strains using DFT and Boltzmann transport theory. It is found that tensile and compressive strains significantly alter the energy bandgap, lattice thermal conductivity, and power factor, affecting the performance of the thermoelectric material.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)