Article
Chemistry, Multidisciplinary
Derek S. Wang, Susanne F. Yelin, Johannes Flick
Summary: This study demonstrates how to tune the optical properties of defects in solid-state materials via the formation of defect polaritons in an optical cavity from first principles. It shows significant polaritonic splitting and absorption intensity enhancement, potentially overcoming phonon-limited single-photon emission from defect centers. These findings are expected to inspire experimental investigations of strong light-matter coupling between defect centers and cavity photons for applications in quantum technologies.
Article
Materials Science, Multidisciplinary
Chen-Chen Er, Lutfi K. Putri, Boon-Junn Ng, Jie-Yinn Tang, Nikhil V. Medhekar, Siang-Piao Chai
Summary: Controlling the product selectivity of CO2 photoreduction through allotropism is a promising strategy. In this study, three phosphorus allotropes were modeled as CO2 reduction photocatalysts and their CO2 adsorption behavior was investigated. It was found that each allotrope exhibits different selectivity towards C1 products due to their distinct p-band centers.
MATERIALS TODAY PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Zhi Li, Xianli Su, Xinfeng Tang
Summary: Among thermoelectrics, SnS is a promising candidate due to its low cost, abundance, and environmental friendliness. However, there are few theoretical studies on the charge and heat transport mechanism in SnS. This work reveals an abnormal optical-phonon-dominated L mode in SnS and highlights the essential role of optical phonons in charge transport. The findings suggest that SnS can achieve high thermoelectric performance without band engineering and identify dopants that effectively enhance the hole concentration.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Multidisciplinary Sciences
Shivani Grover, Keith T. T. Butler, Umesh V. V. Waghmare, Ricardo Grau-Crespo
Summary: Using density functional theory, this study investigates the thermodynamic, electronic, and ferroelectric properties of BiCoxFe1-xO3 solid solutions. It finds that cobalt substitution can reduce the band gap and increase the spontaneous polarization. The study also discusses the attractive interaction between cobalt impurities and predicts phase separation into a cobalt-rich phase.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Electrochemistry
Hao Zhang, Mei-Hua Wang, Ke-Rong Ma, Kun Li, Vyacheslav R. Misko, Wen Yang
Summary: In this study, a thorough theoretical investigation on the diffusion of point defects in a CoMn2O4 spinel crystal was conducted based on first-principles calculations. The proposed defect models, including three types of vacancies and five types of interstitial atoms, were optimized and the energy barriers for diffusion were calculated and analyzed. It was found that the mobility of O atomic defect is higher than that of Co defect, and that of the Mn defect is the lowest. The results suggest that the conductivity of a CoMn2O4 crystal may depend on the diffusion of interstitial O atoms and O vacancies, and increasing the concentration of O atomic defects could improve the conductivity. The obtained activation energies and diffusion coefficients can provide theoretical support for related experiments.
ELECTROCHIMICA ACTA
(2023)
Review
Materials Science, Multidisciplinary
Bin Liu, Juanli Zhao, Yuchen Liu, Jianqi Xi, Qian Li, Huimin Xiang, Yanchun Zhou
Summary: Recent technical progress in the industry has led to an urgent requirement on new materials with enhanced multi-properties. Materials consisting of three and more elements have attracted increasing attention, and the traditional trial and error method cannot provide sufficient data efficiently. An efficient material innovation strategy is significant, and the first-principles calculation based on the density functional theory has become a powerful tool for accurate prediction of material properties. The advances of computational methods have made high throughput first-principles calculations popular in simulation-assisted material design.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Review
Chemistry, Physical
John Mark P. Martirez, Junwei Lucas Bao, Emily A. Carter
Summary: This article discusses the impact of localized surface plasmon resonance of metal nanoparticles on the kinetics of photocatalytic reactions, highlighting the contributions of quantum mechanical modeling in this field.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 72
(2021)
Article
Materials Science, Multidisciplinary
Hexige Wuliji, Kunpeng Zhao, Xiaomeng Cai, Huirong Jing, Yaowei Wang, Haoran Huang, Tian-Ran Wei, Hong Zhu, Xun Shi
Summary: Ag2Q-based silver chalcogenides (Q = S, Se, Te) have excellent thermoelectric properties due to their suitable band gaps, high electron mobilities, and remarkable ductility. The native n-type conduction and p-type undopability mechanism of Ag2Q has been investigated using first-principles calculations. The calculations reveal that Ag interstitials with low formation energy are desirable for native n-type conduction, while the small and negative dopability windows explain the p-type undopability of Ag2Q. This study provides valuable guidance for defect chemistry calculations in other narrow-gap semiconductors.
MATERIALS TODAY PHYSICS
(2023)
Article
Physics, Applied
Jinfan Shao, Yan Qian, Erjun Kan, Haiping Wu
Summary: Due to the shortage of diamond and cubic boron nitride (BN), there is high research interest in finding suitable superhard materials with special properties beyond semiconducting and insulating characteristics. This study presents a new approach to design superhard materials (stacking diamane layers via chemical adsorption of molecules at the interface) using first-principles calculations. A carbon-rich C5N2 compound with monoclinic C (2) symmetry is designed, showing superhard nature with a hardness of 74.9 GPa. In addition, C5N2 exhibits different electronic properties and can be regulated by controlling the adsorbed molecules, opening up potential applications in the field of spintronics.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Ahmed Al-Shami, Anass Sibari, Zouhir Mansouri, Majid El Kassaoui, Abdallah El Kenz, Abdelilah Benyoussef, Mohammed Loulidi, Mustapha Jouiad, Amine El Moutaouakil, Omar Mounkachi
Summary: We report on theoretical investigations of a methylammonium lead halide perovskite system loaded with iron oxide and aluminum zinc oxide (ZnO:Al/MAPbI(3)/Fe2O3) as a potential photocatalyst. The heterostructure achieves a high hydrogen production yield through a z-scheme photocatalysis mechanism. The Fe2O3:MAPbI(3) heterojunction acts as an electron donor, favoring the hydrogen evolution reaction (HER), while the ZnO:Al compound acts as a shield against ions, preventing surface degradation of MAPbI(3) and improving charge transfer.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Xin Ye, Wen Ou, Bin Ai, Yecheng Zhou
Summary: In this study, surface modifications of a series of small molecules were investigated using first-principles calculations. It was found that molecules with nitrogen-containing groups could be suitable modifiers, while molecules such as oxygen-containing six-membered rings and 1,2,4-triazine may induce defect states. Design guidelines for perovskite surface modification molecules were proposed based on the calculations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Jiangming Cao, Menglin Huang, Dingrong Liu, Zenghua Cai, Yu-Ning Wu, Xiang Ye, Shiyou Chen
Summary: The study found that intrinsic defects and extrinsic impurities in AlAs exhibit similar characteristics to GaAs in terms of formation energies, transition energy levels, and impact on conductivity. Intrinsic defects with high formation energies are not the origin of n-type or p-type conductivity. Extrinsic dopants Mg, Si, C have varying effects on the conductivity, with Mg being an effective p-type dopant, and Si and C's doping effects depending on growth conditions. Cu doping has minimal impact on conductivity.
NEW JOURNAL OF PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Burcak Boztemur, Mubashir Mansoor, Faruk Kaya, Mantao Huang, Emre Tekoglu, M. Lutfi Ovecoglu, Ju Li, Duygu Agaogullari
Summary: By strain engineering, NdB6 can be made highly ductile, contrary to the belief that borides are always brittle. This study investigates the structural and mechanical properties of NdB6 and successfully synthesizes superplastic nanostructured NdB6 ceramic powders.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Xing-Hao Cui, Xiao-Hong Li, Xiu-Juan Jin, Rui-Zhou Zhang, Hong-Ling Cui, Hai-Tao Yan
Summary: In this paper, a theoretical study on atomic swap in Sc2CF2 MXene was conducted, and the effects of atomic swap on the structure and properties were investigated. The results showed that the atomic swap had no effect on the semiconductor characteristics of Sc2CF2, but made Sc2CF2-S-C <-> Sc monolayer become a narrow direct semiconductor. It was also found that Sc2CF2-S-F <-> Sc was suitable for cathode materials in aqueous and ionic/organic electrolytes, while Sc2CF2-S(C <-> Sc) monolayer was suitable for anode materials. The properties of Sc2CT2 with mixed termination groups were also studied.
Article
Chemistry, Physical
Jingyu Wang, Yueqin Wang, Yan Wang, Ximing Zhang, Yang Fan, Yin Liu, Zhiguo Yi
Summary: Theoretical calculations show that +3-valent P-doped SrTiO3 can improve the photocatalytic performance of SrTiO3 when co-doped with metal ions. The co-doping of Phosphorus and Vanadium in SrTiO3 system can enhance visible light photocatalytic activity by reducing carrier recombination and creating a new optical absorption peak in the visible range.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Yi-Man Zhang, Zhan-Ju Jia, Zong-Yan Zhao, Yun-Kun Zhao
Summary: In this study, density functional theory calculations were used to investigate the potential buffer layer materials for CZTS-based thin film solar cells. ZnO1-xSx solid solution was found to be an effective buffer layer material, and ZnO0.375S0.625 was identified as the optimal material due to its suitable bandgap and small lattice mismatch. The CZTS/ZnO0.375S0.625 interface exhibited favorable properties, such as a small conduction band offset and band bending, leading to efficient carrier separation and transfer. Overall, the effects of the CZTS/ZnO0.375S0.625 heterojunction significantly enhanced the photovoltaic performance of CZTS-based thin film solar cells.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Physical
Rui-Ping Li, Bao-Feng Shan, Zong-Yan Zhao
Summary: A series of CuFeO2 hexagonal nanosheets with different grain size were prepared by adjusting the synthesis conditions. The samples all showed a pure 3R-Delafossite phase, the same composition, the same optical absorption features, and the same hexagonal sheet morphology. However, the width and thickness of these nanosheets varied.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Shuo Peng, Ting Zhao, Zong-Yan Zhao
Summary: In this work, 84 kesterite Cu2ABS4 compounds were compared and screened using high-throughput calculations. Cu2BaPbS4 and Cu2NiZrS4 exhibited the lowest anion displacement and tetragonal distortion, resulting in good stability and low binding energy. Cu2NiTiS4, Cu2BaTiS4, Cu2HgTiS4, and Cu2HgZrS4 were identified as potential efficient photovoltaic materials based on their appropriate band gaps.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Ceramics
Jia-Qi Li, Qing-Meng Zhao, Yong-Dong Zhou, Zong-Yan Zhao
Summary: Heterostructures consisting of CuGaO2 nanosheets and TiO2 nanoparticles were synthesized through a one-pot hydrothermal method. The CuGaO2/TiO2 heterostructure exhibited a higher photocurrent density and tetracycline hydrochloride degradation efficiency compared to pristine CuGaO2 nanosheets and TiO2 nanoparticles. Experimental characterizations and density functional theory calculations showed that the built-in electric field in the CuGaO2/TiO2 interface region promoted the separation of photogenerated carriers.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Jia-Xin Zhang, Zong-Yan Zhao
Summary: This study investigates the microstructure, interfacial energy, and electronic structure of six BiOX/BiOY heterostructures constructed using four bismuth oxyhalide materials. The formation energies of the heterostructures decrease in a specific order, with BiOCl/BiBr having the lowest formation energy. The study also reveals the potential of BiOCl/BiOBr heterostructures for efficient photocatalytic applications based on their excellent interfacial properties.
INORGANIC CHEMISTRY
(2023)
Article
Engineering, Electrical & Electronic
Hai-Di Feng, Shuo Peng, Zong-Yan Zhao, Chuan-Jun Wang, Ming Wen
Summary: Chalcogenide phase-change materials are widely used in phase-change random access memory, but they still have issues of poor stability and low crystalline resistivity. In this study, by constructing 16 solid-solution systems based on SbTe, the researchers found that (Sb1-xNMx)Te solid solutions are more stable than Sb(Te1-xNMx) and can improve the phase-change properties. The (Sb1-xRux) and (Sb1-xPdx)Te systems show potential for creating new phase-change materials with improved structural stability and electrical properties.
JOURNAL OF ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Rundong Zhao, Qiuyu Yan, Lihong Yu, Tian Yan, Xuya Zhu, Zongyan Zhao, Le Liu, Jingyu Xi
Summary: This study demonstrates the improvement of selective ammonia production capacity in the electrocatalytic nitrate reduction reaction (NO3RR) by modulating the electrodeposition site of Co. The designed Bi-Co corridor catalyst exhibits high Faraday efficiency, ammonia yield rate, and repeatability, and the trapping effect of NO2- by the Bi-Co corridor structure is verified.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Ceramics
Shui-Miao Yu, Zong-Yan Zhao
Summary: Using density functional theory calculations, we systematically investigated the doping effects of various dopants at different lattice positions in CuFeO2-based photocatalysts. Our findings showed that Mn replacing Fe and N replacing O were the most readily achievable doping methods under different oxygen conditions. We also discovered that different dopants can generate impurity levels capable of capturing photogenerated charges and promote the separation of photogenerated electron-hole pairs.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Review
Engineering, Electrical & Electronic
Jia-Xin Zhang, Zong-Yan Zhao
Summary: Delafossite CuAlO2 is a promising semiconductor with intrinsic p-type conductivity and high transmittance in visible-light region. This article comprehensively analyzes its crystal structure, electronic structure, phase transition, and optoelectronic properties, and identifies opportunities for improvement and innovation by examining the relationship between preparation process features and optoelectronic performances.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2023)
Article
Materials Science, Multidisciplinary
Hai-Di Feng, Yan-Ting Xu, Shuo Peng, Qi Zhao, Ming Wen, Zong-Yan Zhao
Summary: This study used first-principles high-throughput computations to investigate the feasibility of Ti-W and Ti-Ru binary alloys as diffusion barrier layers for copper interconnects. The stability ranges and optimal choices of these alloys were determined by calculating the formation energy, constructing a convex hull phase diagram, and analyzing structural stability, electronic structure, and mechanical properties. The study also explored TiRu in Ti-Ru alloys as a potential area for further exploration. Ti0.25W0.75 solid solution and TiRu intermetallic compound were identified as the most promising materials for diffusion barrier layers. This research provides meaningful insights for the design and implementation of high-performance diffusion barrier materials.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Miao Yang, Hao Tan, Shiyu Ma, Yue Mi, Lifeng Liu, Zongyan Zhao, Hong Li, Dehua Xiong
Summary: Cu-BTC-IPA and Co(NO3)(2)& BULL;6H(2)O precursors were used to synthesize CuCoO2 (CCO) nanocrystals with desired crystal phase and morphology. The effects of Fe doping on the crystal structure and oxygen evolution reaction (OER) performance of CCO were investigated. The results showed that Fe doping improved the OER catalytic performance of CCO by reducing the Gibbs free energy and promoting the formation of intermediates.
Article
Engineering, Electrical & Electronic
Xiang-Long Wei, Bao-Feng Shan, Zong-Yan Zhao
Summary: This study synthesized and characterized a CuAlO2/CuGaO2 heterostructure and evaluated its photocatalytic performance. The heterostructure exhibited superior performance compared to individual CuAlO2 and CuGaO2 photocatalysts, with increased carrier concentration, enhanced redox capabilities, superior electrochemical stability, and reduced interfacial resistance. Photocatalytic experiments demonstrated the remarkable oxidation potential and notable reduction activity of the heterostructure, outperforming CuAlO2 and CuGaO2 in degradation rates and hydrogen production rates, respectively. These findings highlight the superior performance and broad applicability of the CuAlO2/CuGaO2 heterostructure in various photocatalytic reactions.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Chemistry, Physical
Yi-Man Zhang, Zong-Yan Zhao, Wen Tang, Jian-Yong Feng, Jin Zhang, Qing-Ju Liu, Zhao-Sheng Li, Zhi-Gang Zou
Summary: In this study, a CuCoO2/CuO heterostructure was successfully synthesized using a simple one-pot hydrothermal synthesis approach. The heterostructure exhibited superior performance in both photocatalytic overall water splitting and electrocatalytic reactions. The unique band alignment mechanism of the CuCoO2/CuO heterostructure efficiently inhibited the migration of photogenerated holes, which overcame the limitations associated with traditional type-I heterostructures. These findings provide important insights for the innovation and optimization of advanced heterostructure photo(electro)catalytic materials.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Inorganic & Nuclear
Xian-Lan Chen, Bao-Feng Shan, Zong-Yan Zhao, Jin Zhang, Qing-Ju Liu
Summary: This study introduces a robust screening methodology and band-structure engineering to design efficient photocatalysts. It reveals the formation rules for CuM1-xM ' O-x(2) solid solutions and the nonlinear relationship between composition and band gaps. By optimizing the constituent elements and adjusting solubility, the band structure of the catalysts can be fine-tuned to improve light absorption and reduction potentials for efficient hydrogen production.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Rui-Ping Li, Shui-Miao Yu, Zong-Yan Zhao
Summary: This study aims to enhance the photoelectrochemical (PEC) properties of CuFeO2 nanosheets by constructing closely bonded CuFeO2/ CuO heterostructures. Through an optimized fabrication process, the CuFeO2@VO-CuO core-shell architecture showed significantly improved PEC performance, with higher photocurrent density and overall efficiency. The solid atomic-level contact bonding at the CuFeO2@VO-CuO junction and the presence of oxygen vacancies play important roles in achieving efficient separation and transfer of photogenerated electron-hole pairs.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Ceramics
Zilong Xiong, Wenzhuo Xue, Mujun Li, Feihu Tan, Yupeng Chen, Hongyu Yu
Summary: In this study, CBS glass/Al2O3 composites were developed for LTCC applications based on a CaO-B2O3-SiO2 (CBS) glass system with a high boron content. The study revealed that the softening of glass and interfacial reaction between the glass and Al2O3 were the two most important factors affecting LTCC's densification process. Real-time shrinkage rate of LTCC during sintering was successfully simulated, and it was proven that the formation of the CaAl2(BO3)O phase played a significant role in reducing glass viscosity and promoting dense structure formation. The resulting LTCC composite exhibited excellent performance for high-frequency applications.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Saurabh Kumar Sharma, Vinita Grover, Rakesh Shukla, Abid Hussain, Ambuj Mishra, Pawan Kumar Kulriya
Summary: In this study, the disordering caused by swift heavy ion irradiation in two different compositions of pyrochlore structures was investigated. X-ray diffraction, Raman spectroscopy, and high-resolution transmission electron microscopy were used to analyze the samples before and after irradiation. It was found that both compositions underwent amorphization due to irradiation, with a slower rate observed in Nd1.8Zr2.2O7.1. The irradiation-induced modified track region in Nd1.8Zr2.2O7.1 consisted of defect-rich pyrochlore structure, anion-deficient fluorite structure, and amorphous domains.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Jiabei He, Mengshan Song, Ming Yang, Miaomiao Zhu
Summary: This study investigates the influence of ion irradiation on high-entropy ceramics and finds that irradiation-induced lattice rearrangement can improve the radiation resistance of these ceramics.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Yajie Yu, Shi He, Zhengang Zhang, Haihua Chen, Peipeng Jin, Binnian Zhong, Linhui Zhang, Liping Wang, Cheng Lu
Summary: Silicide ceramics, including tantalum disilicide (TaSi2), are known for their exceptional physical properties but are limited in practical applications due to their inherent brittleness at room temperature. In this study, we successfully improved the mechanical properties of TaSi2 ceramics and increased their electrical conductivity by modifying the preparation methods and sintering conditions. These findings provide valuable insights for future applications of TaSi2 and the design of advanced ceramic materials.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Jian Li, Jia Liu, Yongcui Zhang, Wei Sun, Yang Wang, Haitao Wu, Ling Li, Chuanbing Cheng, Yingying Wang, Ke Tan, Futian Liu
Summary: Microstructure design plays a crucial role in regulating the microwave dielectric properties of materials, however, the understanding of frequency temperature stability and related micromechanism remains limited. In this study, a combination of first-principles calculations and experimental observation was used to investigate the correlation among sintering behavior, crystal structure, bonding nature, and microwave dielectric properties of LnPO(4) (Ln = Eu, Pr) ceramics. The research findings systematically clarify the optimized effect and micromechanism of lanthanides on the dielectric properties of monazite ceramics, providing insights into the design and enhancement of microwave dielectric materials.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Wenqian Pan, Xizhen Xia, Wei Zhou, Yang Li
Summary: The study investigates the frictional and wear behaviors of carbon fiber-reinforced SiC ceramic matrix composites with different fiber orientations mating with ceramic balls. The results show that fiber orientation significantly affects the friction and wear properties of the composites. Pads with randomly arranged fibers demonstrate better friction stability and lower wear volume, potentially suitable for bearing material applications. The research also explores the factors influencing the formation of continuous tribo-film and identifies abrasive wear and oxidation wear as the dominant wear mechanisms for the friction pairs.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Sergey Nikolaevich Perevislov, Ilya Evgenievich Arlashkin, Valentina Leonidovna Stolyarova
Summary: This paper describes the synthesis and sintering of MAX phases in the Zr-Al-C system. Different mixtures of initial Zr/Al/C and Zr/Al/ZrC powders were used to synthesize Zr2AlC and Zr3AlC2 MAX phases. The highest content of Zr3AlC2 MAX phase was obtained using a component ratio of 1:1.5:2-51.1 vol.% of Zr/Al/ZrC powders.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Weijia Luo, Xubin Wang, Baiheng Bai, Jianli Qiao, Xingcong Chen, Yongzheng Wen, Jingbo Sun, Lingxia Li, Ji Zhou
Summary: This study successfully establishes the relationship between internal strain and dielectric loss by synthesizing and designing specific structure of tungsten bronze ceramics, and concludes that controlling internal strain can effectively reduce dielectric loss. This research is of great significance for the development of future all-ceramic non-Hermitian devices.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Santanu Mondal, Juan Diego Shiraishi Lombard, Sreenivasulu Gollapudi, Carolina Tallon, Jie-Fang Li, Dwight Viehland
Summary: Ultrafast high-temperature sintering (UHS) is an effective method for rapidly densifying ZrB2 powders. The final grain size increases with longer sintering duration. X-ray diffraction and energy-dispersive spectroscopy show crystalline phase and compositional uniformity in ZrB2 after UHS.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
JiaNan Wang, ZhiQiang Li, YongZheng Zhu, Yao Liang, Yan Cui, HuaLong Tao, Bo Song, Alexander Nikiforov, ZhiHua Zhang
Summary: First-principles calculations were performed to investigate the crystal structure, electronic structure, and ion diffusion of sulfur-doped Li2FeSiO4. The results showed that sulfur doping can improve the electronic conductivity and reduce the energy barrier for ion diffusion.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Xiaodi Dai, Serdar Aydin, Mert Yuecel Yardimci, Gunter Reekmans, Peter Adriaensens, Geert De Schutter
Summary: This study investigates the rheological behavior, solidification process, and nanostructure changes of sodium hydroxide-activated slag (NH-AAS) and sodium silicate-activated slag (SS-AAS) pastes over time. The results show that NH-AAS and SS-AAS release similar heat and reach a similar reaction degree at their initial setting times, but have different gel structures.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Yanliang Ji, Simon Becker, Zichen Lu, Alexander Mezhov, Regine von Klitzing, Schmidt Wolfram, Dietmar Stephan
Summary: This study reveals the significant influence of resting time on the rheological properties of cement suspensions, which is closely related to non-absorbed polycarboxylate superplasticizers (PCEs) size variation. Adsorbed PCE during resting tends to bridge particles instead of dispersing them, leading to an increased yield stress.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Yifeng Huang, Xin Wang, Yinchang Ma, Xiang Lv, Jiagang Wu
Summary: This study investigates the effect of K/Na ratio on the phase structure, ferroelectric domains, and piezoelectric properties of potassium sodium niobate (KNN)-based ceramics. It reveals that high Na+ content leads to large ferroelectric domains, while high K+ content results in local polarity heterogeneity and distinct dielectric relaxational behavior. The balanced local polarity and stress heterogeneities contribute to improved piezoelectricity.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Zun Xia, Yedong Rong, Hao Li, Ye Dong, Hongbo Yu, Jie Xu, Xiuhui Wang, Jinlong Yang
Summary: This study presents the synthesis of hollow MgAl2O4 particles in situ within porous ceramics, resulting in volume expansion and the formation of a hierarchical pore structure, leading to a significant improvement in compressive strength.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)
Article
Materials Science, Ceramics
Honglong Wang, Zhiguo Sun, Faming Xia, Chenguang Yang, Xiaoguang Wang, Jintang Li, Linxu Jiang
Summary: In this study, the micro-geometry morphology variation and microstructural transformation mechanism of muscovite crystals under electron beam irradiation were explored. The results revealed the instability of the muscovite lattice under irradiation, as well as the expansion and shrinkage of the lattice with increasing dose. The study also identified changes in chemical structure and other mechanisms involved. These findings are significant for the design of radiation-resistant silicate materials and the manufacturing of electronic components used in the aerospace industry.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2024)