Article
Physics, Condensed Matter
Aafreen Fathima, Monirul Shaikh, Saurabh Ghosh
Summary: Starting from a room temperature parent La2MnNiO6 double perovskite as a prototype example, the study explores the ferroelectricity and metal-insulator transition in the AA ' BB ' O6 double perovskites. Through first-principles density functional calculations guided by symmetry, it is shown that appropriate A-site substitution can transform La2MnNiO6 from rock-salt ordering to both ferroelectric insulating or polar metallic phase. The key factors for determining a specific ordering are found to be the charge difference between the cations and the radius mismatch between A and A '.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Heng Zhang, Elke Debroye, Shuai Fu, Miriam C. Rodriguez Gonzalez, Indy du Fosse, Jaco J. Geuchies, Lei Gao, Xiaoqing Yu, Arjan J. Houtepen, Steven De Feyter, Johan Hofkens, Mischa Bonn, Hai I. Wang
Summary: It is reported that hole-transfer processes dominate the ultrafast charge transfer across strongly coupled double-perovskite Cs2AgBiBr6/graphene (DP/Gr) heterostructures following optical excitation. The transfer direction and efficiency of the holes depend on the excitation wavelength. Low-energy excitation allows photoexcited hot holes in Gr to inject into in-gap defect states in DPs, while above-bandgap excitation reverses the hole-transfer direction, leading to hole transfer from the valence band of DPs to Gr. Increasing the excitation photon energy enhances the charge transfer efficiency, revealing the positive role of excess energy in interfacial charge transfer.
ADVANCED MATERIALS
(2023)
Review
Chemistry, Physical
Hainan Sun, Sanzhao Song, Xiaomin Xu, Jie Dai, Jie Yu, Wei Zhou, Zongping Shao, WooChul Jung
Summary: This article discusses the fundamental strategy of tuning material properties by modulating the arrangement of atoms and designing high-performance electrocatalysts based on structurally ordered materials. It also summarizes recent progress in utilizing structurally ordered materials as efficient electrocatalysts in various electrochemical reactions. Through advanced characterization techniques and electrochemical measurements, the advantages of structurally ordered materials in enhancing electrocatalytic activity are highlighted, along with discussions on the structure-activity relationship and future challenges in this field.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Gohil S. Thakur, Hai L. Feng, Walter Schnelle, Claudia Felser, Martin Jansen
Summary: New double perovskites ALaCuOsO(6) with complete A- and B-site order have been synthesized and studied for their magnetic properties. These compounds exhibit predominant antiferromagnetic interactions at high temperature, and magnetic ordering occurs below Neel temperatures of 25 K (BaLaCuOsO6) and 50 K (SrLaCuOsO6).
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Jianfa Zhao, Jiacheng Gao, Wenmin Li, Yuting Qian, Xudong Shen, Xiao Wang, Xi Shen, Zhiwei Hu, Cheng Dong, Qingzhen Huang, Lipeng Cao, Zhi Li, Jun Zhang, Chongwen Ren, Lei Duan, Qingqing Liu, Richeng Yu, Yang Ren, Shih-Chang Weng, Hong-Ji Lin, Chien-Te Chen, Liu-Hao Tjeng, Youwen Long, Zheng Deng, Jinlong Zhu, Xiancheng Wang, Hongming Weng, Runze Yu, Martha Greenblatt, Changqing Jin
Summary: The A-site-ordered perovskite PbHg3Ti4O12 is the only known quadruple perovskite that undergoes a phase transition from a high-temperature centrosymmetric paraelectric phase to a low-temperature non-centrosymmetric ferroelectric phase under high pressure synthesis. It bridges the gap between simple ABO(3) perovskites and A-site-ordered AA'3Ti4O12 perovskites, exhibiting both displacive ferroelectricity and unique structural coordination.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Soumi Mondal, Mohd Riyaz, Debabrata Bagchi, Nilutpal Dutta, Ashutosh Kumar Singh, Chathakudath P. Vinod, Sebastian C. Peter
Summary: In this work, atomic cobalt incorporation into the Pd2Ge intermetallic lattice enables the operando generation of a CoO layer over Co-substituted Pd2Ge, with Co in the surface layer functioning as single metal sites. The role of the CoO layer in the oxygen evolution reaction (OER) has been verified, and it gets transformed to CoOOH (Co3+) under operando conditions with faster charge transfer. DFT calculations indicate that the Pd2Ge lattice induces distortion in the CoO phase and generates unpaired spins in a nonmagnetic CoOOH system, resulting in improved OER activity and durability.
Article
Chemistry, Physical
Ruixiang Mi, Sanlue Hu, Zewen Xiao
Summary: This study focuses on the theoretical design and experimental verification of rock-salt-ordered double antiperovskites with reduced bandgaps. The results demonstrate strategies for designing double antiperovskites and expanding their applications.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Zhiqin Chen, Peixin Chen, Yingying Sun, Tao Hang, Hongwei Su, Ke Lou, Ming Li, Yunwen Wu
Summary: In this study, a double-layer nanotwinned Cu structure was designed to inhibit the growth of IMC and the formation of voids at the Cu/Sn bonding interface, improving the bonding reliability.
MATERIALS CHARACTERIZATION
(2023)
Article
Chemistry, Multidisciplinary
Siyuan Han, Datao Tu, Zhi Xie, Yunqin Zhang, Jiayao Li, Yifan Pei, Jin Xu, Zhongliang Gong, Xueyuan Chen
Summary: The study unveils the strategy of Cl-Yb3+ charge transfer sensitization in Ln(3+)-doped Cs2NaInCl6 DPs, resulting in efficient NIR luminescence of Ln(3+). The localized electrons of [YbCl6](3-) octahedron in Cs2NaInCl6 DPs facilitate the Cl-Yb3+ charge transfer process. The mechanism of Cl-Yb3+ charge transfer sensitization is verified by spectroscopic experiments and theoretical calculations. Furthermore, the efficient NIR emission of Er3+ is also realized using the same strategy. These findings provide fundamental insights for optical manipulation of Ln(3+)-doped halide DPs.
Article
Chemistry, Multidisciplinary
Elena Solana-Madruga, Padraig S. Kearins, Clemens Ritter, Angel M. Arevalo-Lopez, J. Paul Attfield
Summary: The cation ordering in ABX(3) perovskites plays a crucial role in determining the structural, physical, and chemical properties of materials. The discovery of CaCuFeReO6 with a unique structure and magnetic properties suggests that there may be many more undiscovered materials in this family.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Mohamed Ben Bechir, Mohamed Houcine Dhaou
Summary: Recently, double perovskites Cs2MBiCl6 (M = Ag, Cu) were successfully synthesized and their cubic phase was confirmed. The indirect band-gap values of Cs2CuBiCl6 and Cs2AgBiCl6 were determined to be 1.31 and 2.92 eV, respectively. Impedance spectroscopy revealed different charge transportation mechanisms, with Cs2CuBiCl6 exhibiting non-overlapping small polaron tunneling and Cs2AgBiCl6 exhibiting overlapping large polaron tunneling.
Article
Chemistry, Physical
Erika M. Dematteis, Fermin Cuevas, Michel Latroche
Summary: The study found that increasing Cu content leads to more secondary phase in the alloy, resulting in a harsher activation process. Substitution of Mn and Cu increases the cell parameter of TiFe, lowering the first plateau pressure and raising the second plateau pressure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
R. A. Lanovsky, M. Bushinsky, N. Tereshko, O. S. Mantytskaya, A. Nikitin, D. P. Kozlenko
Summary: A comprehensive study was conducted on the structural, magnetic, and transport properties of double-substituted La1-xSrxCo1-yNiyO3-gamma perovskite systems. Various characteristic concentration regions were observed in the A and B sublattices. Interestingly, low levels of Sr and Ni substitution exhibited cluster spin-glass behavior with semiconducting conductivity and diamagnetic low-spin (LS) Co3+ matrix. The stabilization of intermediate-spin (IS) Co3+ ions in CoO6 octahedra and its effect on ferromagnetic clusters were influenced by Ni substitution. Additionally, the effect of stabilization of IS Co3+ was not observed in strongly Sr-substituted systems due to the dilution effect of antiferromagnetic Ni ions. The study also revealed anomalies in the conductivity dependences attributed to the thermal-induced spin crossover of Co3+ ions.
Article
Chemistry, Multidisciplinary
Anish Dasgupta, Haoran He, Rushi Gong, Shun-Li Shang, Eric K. Zimmerer, Randall J. Meyer, Zi-Kui Liu, Michael J. Janik, Robert M. Rioux
Summary: Intermetallic compounds provide unique opportunities for manipulating catalytic ensembles atom by atom through precise stoichiometric control, allowing the design of active sites with atomic-level precision.
Article
Chemistry, Physical
Qunfei Zhou, Zhen-Fei Liu, Tobin J. Marks, Pierre Darancet
Summary: In this study, the electronic structure and optical properties of metal phthalocyanines were accurately calculated using the OT-RSH method, with tunability of molecular orbital energies observed through fluorination. The results provide a new computational benchmark for gas-phase phthalocyanines.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Multidisciplinary Sciences
Guangxiu Liu, Maocai Pi, Long Zhou, Zhehong Liu, Xudong Shen, Xubin Ye, Shijun Qin, Xinrun Mi, Xue Chen, Lin Zhao, Bowen Zhou, Jia Guo, Xiaohui Yu, Yisheng Chai, Hongming Weng, Youwen Long
Summary: The authors have discovered a non-orientable Roman surface can be realized in a solid through antiferromagnetic-induced polarization. By studying the spin-induced ferroelectric polarizations in cubic perovskite oxides, a path-dependent topological magnetoelectric effect has been demonstrated as a way to detect the global geometry of a surface.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Applied
H. C. Lyu, Y. C. Zhao, J. Qi, G. Yang, W. D. Qin, B. K. Shao, Y. Zhang, C. Q. Hu, K. Wang, Q. Q. Zhang, J. Y. Zhang, T. Zhu, Y. W. Long, H. X. Wei, B. G. Shen, S. G. Wang
Summary: Current-induced magnetization switching (CIMS) was observed in epitaxial L1(0)-FePt/CrxPt1-x heterostructures with large perpendicular magnetic anisotropy. The critical switching current density decreased with increasing Cr content and was significantly reduced in FePt/Cr (3d) films compared to FePt/Pt (5d) films with strong spin-orbit coupling.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Sicheng Lu, Fang Yin, Yujia Wang, Nianpeng Lu, Lei Gao, Huining Peng, Yingjie Lyu, Youwen Long, Jia Li, Pu Yu
Summary: This study explores the structural phase transition of brownmillerite SrCoO2.5 and its influencing factors. It is found that using aqueous alkali as the electrolyte can trigger a rapid transition, while the acid solution with rich protons can also induce an unexpected phase transition in a faster manner. Theoretical calculations reveal that this transition is caused by a proton-assist ionic disproportionation.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Physics, Applied
Yosuke Isoda, Daisuke Kan, Takuya Majima, Yuichi Shimakawa
Summary: We investigated the electrochemical responses of (100), (110), and (111)-oriented oxygen-deficient perovskite SrFeO2.5+y epitaxial films. Only the (100)-oriented films exhibited changes associated with gate-voltage-induced electrochemical reductions. The electrochemically reduced (100) films were found to accommodate protons, forming the proton-containing oxide H0.11SrFeO2.5+y. Our results suggest that oxygen vacancies preferentially form along the {100} axes and ion diffusion in electrochemical reactions predominantly occurs along the {100} directions in SrFeO2.5+y.
APPLIED PHYSICS EXPRESS
(2023)
Article
Chemistry, Physical
Yanjia Zhang, Miho Sawamura, Maho Harada, Yusuke Noda, Masanobu Nakayama, Masato Goto, Daisuke Kan, Yuichi Shimakawa, Benoit Denis Louis Campeon, Daisuke Shibata, Toshiaki Ohta, Naoaki Yabuuchi
Summary: This study investigates the Li3NbO4-CoO binary system and finds that although Li4/3Co2/9Nb4/9O2 exhibits a reversible capacity increase as electrode material, there are irreversible structural changes in its electrochemical cycles, leading to the instability of anionic redox.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Taro Kamada, Taisei Ueda, Shuta Fukuura, Takashi Yumura, Saburo Hosokawa, Tsunehiro Tanaka, Daisuke Kan, Yuichi Shimakawa
Summary: In this study, catalytic model systems based on Pd-loaded SrFeOx films were fabricated to investigate the phenomenon of hydrogen spillover. The results showed that hydrogen spillover on the SrFeOx support can extend over long distances, up to 600 μm. The reduction of Fe4+ on the support surface induced by hydrogen spillover yields large energies, driving the unexpectedly long-distance hydrogen diffusion. These findings provide a deeper understanding of hydrogen spillover and offer insights for designing catalyst systems with enhanced properties.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Yuichi Shimakawa, Yoshihisa Kosugi
Summary: The caloric effects of solids are important for efficient and environmentally friendly energy systems. Exploring novel caloric materials is challenging but crucial for future technologies. This article highlights two transition-metal oxides that show giant caloric effects: NdCu3Fe4O12 and BiCu3Cr4O12. These compounds exhibit unusual high valence states of transition-metal ions and charge transitions to relieve electronic instabilities, resulting in large caloric responses. The details and mechanism of these giant caloric effects are summarized and discussed.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Makoto Iihoshi, Masato Goto, Yoshihisa Kosugi, Yuichi Shimakawa
Summary: The A-site layer-ordered double perovskite SmBaFe2O6 is synthesized by oxidizing A-site layer-ordered SmBaFe2O5 in ozone at a low temperature. This compound contains high and mixed valence Fe3.5+ and exhibits cascade charge transitions, represented as SmBa(Fe3+1.5Fe5+0.5)O6, to alleviate its electronic instability. The first Verwey-like charge-order transition occurs at 340 K, accompanied by significant structural changes and a sudden increase in magnetic susceptibility. Subsequently, a charge disproportionation of metastable Fe4+ to Fe3+ and Fe5+ takes place, resulting in an antiferromagnetic ground state. Plausible charge-ordered patterns are proposed based on electrostatic lattice energy calculations.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Jialin Ji, Zhehong Liu, Jianhong Dai, Di Qiu, Jiong Yang, Jinyang Xi, Youwen Long, Wenqing Zhang
Summary: Low-frequency cluster vibration, specifically the delocalized cluster vibration, significantly reduces the lattice thermal conductivity by interrupting acoustic vibrations. In this study, the delocalized cluster vibration was observed in the transition-metal oxide Bi3Ir3O11, leading to a much lower thermal conductivity value compared to other metallic materials. The discovery of this phenomenon contributes to a better understanding of lattice thermal transport and opens up possibilities for designing materials with improved thermal insulation properties.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Hideki Narita, Jun Ishizuka, Daisuke Kan, Yuichi Shimakawa, Youichi Yanase, Teruo Ono
Summary: The superconducting diode effect (SDE) has great potential for developing ultralow power consumption circuits and non-volatile memory. However, controlling the SDE requires precise tuning of current, temperature, magnetic field, or magnetism. This study demonstrates a zero-field SDE with an efficiency of up to 40% in Fe/Pt-inserted non-centrosymmetric Nb/V/Ta superconducting artificial superlattices. The polarity and magnitude of the zero-field SDE are controllable by magnetization direction, indicating the influence of the effective exchange field on Cooper pairs.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Kento Iwai, Yoshiyuki Mizuhata, Tomoya Nakamura, Masato Goto, Atsushi Wakamiya, Yuichi Shimakawa, Norihiro Tokitoh
Summary: Zwitterionic triarylmethylium dyes 1 and 2 with varied molecular assembly and charge transfer transition were synthesized using a tetraarylborate unit. These dyes exhibited solvatochromism and mechanochromism, allowing the color of the solid state to change upon dissolution & evaporation or grinding. Different crystal forms obtained from different recrystallization conditions independently reproduced the three colors, which were correlated with solid-state structures as demonstrated by diffuse reflectance measurement and powder X-ray diffraction. The unique color change of these dyes is suggested to originate from alterations in intermolecular interactions.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
I-Ching Lin, Mitsutaka Haruta, Takashi Nemoto, Masato Goto, Yuichi Shimakawa, Hiroki Kurata
Summary: This study presents an alternative method to extract the anisotropic atomic vibration factors for oxygen in SrTiO3 by measuring the electron energy-loss spectrum. The results show good agreement with previous experiments and theoretical values, providing important insights into the thermal properties of functional materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Chen Chen, Yoshihisa Kosugi, Masato Goto, Yuichi Shimakawa
Summary: The thermal properties and phase transition behaviors of Bi(0.95)Ln(0.05)NiO(3) (Ln = La, Nd, Sm, Eu, Gd, Dy) were investigated as potential caloric materials. However, the observed latent heats at the intersite-charge-transfer transition temperatures were not comparable to that of the giant caloric effect compound NdCu3Fe4O12. Contrary to expectations, the magnetic transitions of Ni2+ spins in Bi(0.95)Ln(0.05)NiO(3) were not induced by intersite charge transfer, and the magnetic entropy changes did not contribute to the latent heat produced by these transitions. Materials with intrinsic magnetic transition temperatures much higher than the charge-transfer transition temperatures may be needed to achieve giant caloric effects.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Yanjia Zhang, Miho Sawamura, Maho Harada, Yusuke Noda, Masanobu Nakayama, Masato Goto, Daisuke Kan, Yuichi Shimakawa, Benoit Denis Louis Campeon, Daisuke Shibata, Toshiaki Ohta, Naoaki Yabuuchi
Summary: In this study, Li3NbO4-CoO binary system was investigated as electrode materials for lithium storage applications. It was found that with the increase of Li3NbO4 fraction, cation-disordered rocksalt structure formed in Li-excess phases, leading to the degradation of performance. Factors affecting the reversibility and irreversibility of anionic redox were further discussed through systematic study of the binary system of Li3NbO4-CoO.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Engineering, Electrical & Electronic
Ryunosuke Takahashi, Takuo Ohkochi, Daisuke Kan, Yuichi Shimakawa, Hiroki Wadati
Summary: Using a magneto-optical Kerr effect (MOKE) microscope, we observed laser-induced magnetization switching in ferrimagnetic oxide NiCo2O4 (NCO) epitaxial thin films with perpendicular magnetic anisotropy. Laser pulses at 1030 nm were used to irradiate the NCO thin film at different temperatures (300-400 K) while altering the parameters of pulse interval, fluence, and the number of pulses in the absence of an external magnetic field. We observed accumulative all-optical helicity-dependent switching above 380 K. Our observation of oxide NCO thin films facilitates magnetization switching using ultrafast lasers without the need for a magnetic field.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
