Article
Multidisciplinary Sciences
Chen Chen, Zhenzhen Feng, Honghao Yao, Feng Cao, Bing-Hua Lei, Yumei Wang, Yue Chen, David J. Singh, Qian Zhang
Summary: The Zintl thermoelectric phase Eu2ZnSb2 combines high mobility and low thermal conductivity, with partial ordering and disorder on longer scales at the Zn site leading to a reduction in thermal conductivity. This intrinsic nanostructuring preserves electron mobility, providing a direction for identifying Zintl compounds with ultralow lattice thermal conductivity and good electrical conductivity. Understanding mechanisms for obtaining low thermal conductivity without degraded electrical properties remains a challenge, with the authors revealing a mechanism for thermal conductivity reduction in a Zintl phase thermoelectric based on disorder length scales in Eu2ZnSb2.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Ceramics
Louisiane Verger, Vinuyan Ganesaratnam, Virginie Nazabal, Sebastien Chenu, Christophe Calers, David Le Coq, Laurent Calvez, Olivier Hernandez, Xiang-Hua Zhang
Summary: Crystallization in Ga, Sb, and Se glasses was studied, and a correlation between Se content, crystalline phases, and electrical conductivity was observed. The resulting glass-ceramics exhibited significantly higher conductivity compared to other Se-based glass-ceramics.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Zhe Yang, Bowen Li, Jiang-Jing Wang, Xu-Dong Wang, Meng Xu, Hao Tong, Xiaomin Cheng, Lu Lu, Chunlin Jia, Ming Xu, Xiangshui Miao, Wei Zhang, En Ma
Summary: The researchers propose a solution to the high power consumption problem in phase-change material (PCM) devices by designing and utilizing a new PCM alloy. By decomposing the alloy into a network of nanoscale crystalline domains and amorphous regions, the researchers are able to create conductive paths through nano-bridges formed in the interface region of the crystalline domains. This new PCM fabrication technology is compatible with current 3D integration technology and does not add any extra expenses or processing difficulties.
Article
Materials Science, Ceramics
Guoda Wang, Pingping Dong, Bo Liang, Changgui Lin, Xiang Shen, Shixun Dai, Qing Jiao
Summary: A high-conductivity Li3PS4-xLiBr glass solid electrolyte was obtained through a simple synthetic route, and the air stability was improved by doping with Br- ions.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Killian Denoue, David Le Coq, Christophe Calers, Antoine Gautier, Louisiane Verger, Laurent Calvez
Summary: This study synthesized compositions belonging to the binary system (100-x)[Ga2S3]-x[Na2S] using mechanical-alloying and extended the vitreous domain by using ball-milling technique. The conductivity of these glasses was measured for the first time by impedance spectroscopy, showing a significant ionic conductivity at 25 degrees C. Furthermore, glass-ceramic processing was implemented to stabilize the samples and eliminate Na dendrite formation, highlighting the potential of glass-ceramization in the synthesis of electrolytes for all-solid-state sodium batteries.
MATERIALS RESEARCH BULLETIN
(2021)
Article
Multidisciplinary Sciences
Jiawei Zhang, Nikolaj Roth, Kasper Tolborg, Seiya Takahashi, Lirong Song, Martin Bondesgaard, Eiji Nishibori, Bo B. Iversen
Summary: Disordered, diffusive atoms are rarely found in simple crystalline solids. Here, the authors observe a one-dimensional disordered diffusion channel in a simple chain-like thermoelectric InTe with ultralow thermal conductivity, which undergoes a static-dynamic transition with increasing temperature. This phenomenon provides insight into the mechanism behind ultra-low thermal conductivity in chain-like materials.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Biplab Koley, Achintya Lakshan, Parul R. Raghuvanshi, Charanpreet Singh, Amrita Bhattacharya, Partha P. Jana
Summary: Cu4TiSe4 is a unique example of a non-toxic and low-cost material with an ultra-low lattice thermal conductivity, mainly attributed to the atomic lattice and its dynamics. This material could potentially pave the way for efficient thermoelectric materials with relatively high electrical resistivity and a large band gap.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Jielan Li, Wei Hu, Jinlong Yang
Summary: In this study, we propose an efficient method to screen candidates with ultralow thermal conductivity in materials by analyzing the key spirit of the rattling model. Using a combination of structural information extraction and high-throughput computation, we identify 532 materials with ultralow thermal conductivity and verify the ultralow thermal conductivity of halide double perovskite structures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Optics
Zhao Li, Qingyang Du, Chaopeng Wang, Jinhai Zou, Tuanjie Du, Kathleen A. Richardson, Zhiping Cai, Juejun Hu, Zhengqian Luo
Summary: This work presents the first experimental demonstration of an externally pumped on-chip ultrafast soliton laser source based on Raman soliton self-frequency shift. The source, using Ge28Sb12Se60 chalcogenide glass waveguides, achieves continuous wavelength tunability with high signal-to-noise ratios, significantly improving energy efficiency and demonstrating excellent spectral purity and stability. These results provide insights into soliton dynamics and critical device design guidelines, enabling a new class of broadly tunable, energy-efficient, compact, and potentially cost-effective on-chip ultrafast laser sources.
LASER & PHOTONICS REVIEWS
(2021)
Article
Materials Science, Multidisciplinary
Assil Bouzid, Tan-Lien Pham, Ziyad Chaker, Mauro Boero, Carlo Massobrio, Young-Han Shin, Guido Ori
Summary: First-principles molecular dynamics was employed to evaluate the structural properties of chalcohalide glass Ge20Te73I7 (gGTI) within the density functional theory framework. The presence of iodine atoms in gGTI leads to a substantial decrease in the number of Ge-Te bonds compared to glassy Ge20Te80.
Article
Thermodynamics
Ravi P. Tripathi, M. A. Alvi, Shamshad A. Khan
Summary: The research focused on investigating the thermal, optical, and electrical properties of Se85In15-xBix alloys in bulk and thin film forms. Various parameters such as melting temperature, crystallization temperature, glass transition temperature, and different stability parameters were evaluated. The study also considered the impact of Bi content on alloy properties through different testing methods, providing valuable insights for applications and further research.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Physical
Shuwei Tang, Mengxiu Wu, Shulin Bai, Dongming Luo, Jingyi Zhang, Shaobin Yang
Summary: In this study, the electrical transport and thermoelectric properties of honeycomb-like puckered PbTe monolayer were theoretically evaluated. The results show that the material has low thermal conductivity and excellent thermoelectric performance, making it a promising n-type thermoelectric material.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Zezhu Zeng, Cunzhi Zhang, Hulei Yu, Wen Li, Yanzhong Pei, Yue Chen
Summary: The study investigates the thermal transport mechanisms of the high-performance thermoelectric material BaAg2Te2, revealing the crucial role of strong four-phonon processes in determining the ultralow thermal conductivity. The breakdown of conventional Peierls-Boltzmann theory and the dominance of diffusive thermal transport in BaAg2Te2 are demonstrated, shedding light on the nearly temperature-independent nature of its kappa.
MATERIALS TODAY PHYSICS
(2021)
Article
Engineering, Chemical
Zhongkai Wu, Ru Wang, Chuang Yu, Chaochao Wei, Shuai Chen, Cong Liao, Shijie Cheng, Jia Xie
Summary: Sulfide electrolytes with optimized LiI doping in the Li3PS4 structure exhibit high ionic conductivities, making them promising solid electrolytes for all-solid-state batteries. These sulfide electrolytes showed stable capacities and excellent cycling performance at 0 degrees C but experienced fast capacity decay at 60 degrees C. The electrochemical performance differences at different temperatures were attributed to interfacial resistance caused by volume changes. This study provides insights into the temperature effects on the electrochemical performance of all-solid-state Li-S batteries.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Leonard Desvignes, Vasily S. Stolyarov, Marco Aprili, Freek Massee
Summary: The text highlights the importance of manipulating individual atoms and molecules using a scanning tunneling microscope for the development of atomic-scale devices and structures, particularly molecular motors. It also introduces the controlled manipulation of a rotor in Fe doped Bi2Se3, where current into the rotor is finely tuned with voltage to achieve directional switching.
Article
Chemistry, Inorganic & Nuclear
Rebecca D. McAuliffe, Gabrielle E. Kamm, Matthew J. McDermott, Raphael P. Hermann, Neyanel Vasquez-Garcia, Robert L. Sacci, Kristin A. Persson, Karena W. Chapman, Gabriel M. Veith
Summary: In order to gain a better understanding of polymorph control in transition metal oxides, the mechanochemical synthesis of NaFeO2 was investigated. A direct synthesis of alpha-NaFeO2 through a mechanochemical process was reported. It was found that changing the starting precursors and mass of precursors has an impact on the resulting NaFeO2 structure. The study also showed that the alpha phase is stabilized over the beta phase in oxidizing environments.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
A. De Francesco, F. Formisano, L. Scaccia, E. Guarini, U. Bafile, A. Alatas, S. T. Lynch, A. Cunsolo
Summary: Understanding collective motions in liquids with a network of bonds has both fundamental and applied relevance. Water is an ideal case to study these aspects, but the terahertz density fluctuations of water remain puzzling. By comparing scattering measurements of water and ice, we challenge the current understanding of density fluctuations in water and networked liquids in general, using Bayesian inference to provide a more detailed portrayal of ice's phonon response.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Sreya Paladugu, Peter C. Metz, Si Luo, Meijun Li, Jue Liu, Harry Meyer, Yiqing Wu, Zili Wu, Katharine Page
Summary: This study investigates the structural evolution of ceria nanorods under redox gas environments with Pt loading, which is important for catalysis applications. The results show that Pt-CeO2 nanorods are more easily reducible than CeO2 rods, and no evidence of oxygen vacancy ordered surface reconstruction is found.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Bo Jiang, Jennifer Neu, Daniel Olds, Simon A. J. Kimber, Katharine Page, Theo Siegrist
Summary: The authors investigated the thermoelectric properties of SnSe and found that it undergoes a dynamic order-disorder phase transition, shedding light on previous discrepancies. They used neutron pair distribution function analysis and diffraction data to probe the transition at different length scales.
NATURE COMMUNICATIONS
(2023)
Article
Crystallography
Duncan H. H. Moseley, Craig A. A. Bridges, Luke L. L. Daemen, Qiang Zhang, Michael A. A. McGuire, Ercan Cakmak, Raphael P. Hermann
Summary: Antimony oxides are important for catalysis and flame-retardant applications. Although the lattice dynamics properties of alpha-Sb2O3 and beta-Sb2O3 have been extensively studied, their anharmonicity and low-temperature structural information have not been directly investigated. In this study, we report the powder neutron diffraction data and structural information of both phases, revealing a small region of zero thermal expansion in beta-Sb2O3 along the c axis and a deviation in atomic displacement parameters in alpha-Sb2O3. These findings provide valuable insights for further investigations.
Article
Materials Science, Multidisciplinary
Andrew F. May, Eleanor M. Clements, Heda Zhang, Raphael P. Hermann, Jiaqiang Yan, Michael A. McGuire
Summary: EuCuP and EuCuAs were studied to investigate their magnetic phase transitions and magnetoelastic coupling. EuCuP exhibited two closely spaced features in thermal expansion and specific heat capacity around the Curie temperature, possibly indicating a cascading magnetic transition or an electronic transition closely coupled to the magnetic ordering. Stronger zero-field magnetoelastic coupling was observed in EuCuP compared to EuCuAs, which was attributed to the dominant ferromagnetic interaction in EuCuP and antiferromagnetic order in EuCuAs. Anisotropic thermal expansion and strong ferromagnetic correlations were observed in EuCuAs above T-N. Both compounds showed similar electrical and thermoelectric transport behaviors, suggesting intrinsic defects and potential for achieving narrow-gap semiconducting or semimetallic behavior with defect tuning.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Tengfei Cao, Guodong Ren, Ding -Fu Shao, Evgeny Y. Tsymbal, Rohan Mishra
Summary: The recent observation of ferroelectricity in binary metal oxides, such as HfO2, ZrO2, Hf0.5Zr0.5O2, and Ga2O3, has attracted much attention. Hole doping is proposed to play a key role in stabilizing polar phases in these oxides. First-principles calculations demonstrate that holes mainly occupy one of the oxygen sublattices and their localization enhances the electrostatic energy of the system, making the polar phase more stable at high concentrations. The electrostatic mechanism is responsible for the stabilization of the ferroelectric phase in HfO2 doped with elements that introduce holes to the system.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Hongyan Mei, Guodong Ren, Boyang Zhao, Jad Salman, Gwan Yeong Jung, Huandong Chen, Shantanu Singh, Arashdeep S. Thind, John Cavin, Jordan A. Hachtel, Miaofang Chi, Shanyuan Niu, Graham Joe, Chenghao Wan, Nick Settineri, Simon J. Teat, Bryan C. Chakoumakos, Jayakanth Ravichandran, Rohan Mishra, Mikhail A. Kats
Summary: This work demonstrates that a bulk crystal with subtle periodic modulations in its structure, Sr9/8TiS3, exhibits transparent and positive-uniaxial properties in the mid- to far-infrared range, with extraordinary index n(e) = 4.5 and ordinary index n(o) = 2.4. The unique structural modulations contribute to the formation of highly oriented electron clouds, resulting in record birefringence.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Xin Wang, Peter Metz, Eleonora Cali, Palani Raja Jothi, Eric Andrew Lass, Katharine Page
Summary: A family of compositionally complex spinels with tunable cation distribution has been synthesized using a low-temperature softtemplating method. The phase selectivity and temperature stability depend strongly on the A-site composition, while the number of elements on the A-site has a modest effect. Compositions containing Mg, Ni, Mn, and Fe show temperature-activated de-mixing.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Duncan H. Moseley, Rinkle Juneja, Luke L. Daemen, Ilya Sergueev, Rene Steinbruegge, Olaf Leupold, Yongqiang Cheng, Valentino R. Cooper, Lucas Lindsay, Michelle K. Kidder, Michael E. Manley, Raphael P. Hermann
Summary: This study investigates the lattice dynamics and vibrational properties of alpha-Sb2O4 and beta-Sb2O4 compounds. It suggests that the alpha phase is more stable due to nonstoichiometric proportions of Sb-III and Sb-V.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Saif Ullah, Stephanie Jensen, Yanyao Liu, Kui Tan, Hannah Drake, Guoyu Zhang, Junjie Huang, Jiri Klimes, Darren M. Driscoll, Raphael P. Hermann, Hong-Cai Zhou, Jing Li, Timo Thonhauser
Summary: Ferrocene, a well-known organometallic molecule, has had its structure and electronic properties unchanged for over 70 years. However, through the use of a metal organic framework host material, researchers were able to alter the electronic and magnetic structure of ferrocene, giving it a unique physically stretched/bent high-spin Fe(II) state that readily accepts O-2 to chemically oxidize the iron from Fe(II) to Fe(III). The binding of oxygen was found to be reversible through temperature swing experiments. The study combined various measurement techniques and ab initio modeling.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Geosciences, Multidisciplinary
Rajan K. Chakrabarty, Nishit J. Shetty, Arashdeep S. Thind, Payton Beeler, Benjamin J. Sumlin, Chenchong Zhang, Pai Liu, Juan C. Idrobo, Kouji Adachi, Nicholas L. Wagner, Joshua P. Schwarz, Adam Ahern, Arthur J. Sedlacek, Andrew Lambe, Conner Daube, Ming Lyu, Chao Liu, Scott Herndon, Timothy B. Onasch, Rohan Mishra
Summary: Observations of smoke plumes in the United States shows that atmospheric short-wave absorption due to wildfire smoke is mainly caused by dark brown carbon particles. Wildfires release large amounts of black carbon and light-absorbing organic carbon, known as brown carbon, into the atmosphere, which disrupts Earth's radiation budget. It is important to quantify these radiative impacts as wildfires are predicted to increase globally.
Article
Multidisciplinary Sciences
Yuguang Pu, Duncan Moseley, Zhen He, Krishna Chaitanya Pitike, Michael E. Manley, Jiaqiang Yan, Valentino R. Cooper, Valerie Mitchell, Vanessa K. Peterson, Bernt Johannessen, Raphael P. Hermann, Peng Cao
Summary: Researchers have developed a bottom-up method for synthesizing rocksalt high-entropy oxides (HEOs) containing Mn and Fe. They investigated the crystal structure and random cation-site occupancy of FeO-HEO, showing improved structural robustness and the viability of an oxygen sublattice as a buffer layer. Compositional analysis revealed the valence and spin state of the iron species, and the antiferromagnetic order of FeO-HEO below a transition temperature around 218 K was reported, along with predictions for the phase stability conditions of Mn and Fe-containing HEOs.
Article
Multidisciplinary Sciences
Xin Li, Yu Yun, Arashdeep Singh Thind, Yuewei Yin, Qiang Li, Wenbin Wang, Alpha T. N'Diaye, Corbyn Mellinger, Xuanyuan Jiang, Rohan Mishra, Xiaoshan Xu
Summary: This study investigates the electrical modulation of magnetic states in single-phase multiferroic materials using domain-wall magnetoelectric (ME) coupling. Results show that the domain-wall ME effect is dramatically enhanced when the separation between ferroelectric (FE) domain walls shrinks below the characteristic width of the antiferromagnetic (AFM) domain walls. These findings suggest that the domain-wall ME effect is capable of electrical control of magnetization.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Sungyoon Jung, Tengfei Cao, Rohan Mishra, Pratim Biswas
Summary: This study investigates the effect of CO2 concentration in the feed stream on CH4 oxidation in oxy-combustion systems. Experimental results show that an increase in CO2 concentration leads to a higher rate of CO2 generation and complete CH4 oxidation. Theoretical calculations suggest that a high surface coverage of CO2 on Pd reduces the activation energy for CH4 dissociation and subsequent oxidation reactions. These findings indicate the beneficial role of a CO2-rich environment in reducing oxygen content in exhaust gases.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)