Article
Physics, Condensed Matter
Jianfa Zhao, Shu-Chih Haw, Xiao Wang, Zhiwei Hu, Chang-Yang Kuo, Shin-An Chen, Hirofumi Ishii, Nozumu Hiraoka, Hong-Ji Lin, Chien-Te Chen, Zhi Li, Arata Tanaka, Cheng-En Liu, Runze Yu, Jin-Ming Chen, Changqing Jin
Summary: This study investigates the spin state transition of Co3+ in BiCoO3 using various techniques, revealing a complete transition from high-spin to low-spin state under high pressure. These findings clarify the debate on the spin-state transition of BiCoO3 and contribute to a deeper understanding of its intrinsic physical properties.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Eric R. Heller, Jeremy O. Richardson
Summary: The study investigates the spin-crossover reaction of thiophosgene and proposes the semiclassical golden-rule instanton theory. It is found that the increase in the speed of the spin-crossover reaction is mainly attributed to multidimensional quantum tunneling effects.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Multidisciplinary Sciences
Dorin Rusu, Jonathan J. P. Peters, Thomas P. A. Hase, James A. Gott, Gareth A. A. Nisbet, Jorg Strempfer, Daniel Haskel, Samuel D. Seddon, Richard Beanland, Ana M. Sanchez, Marin Alexe
Summary: This study reveals the existence of periodic vortices in a PbTiO3 epitaxial layer, blurring the boundary between ferromagnetic and ferroelectric topologies.
Article
Materials Science, Multidisciplinary
Vyacheslav S. Zhandun, Oksana N. Draganyuk
Summary: The magnetic and electronic properties of Co-based spinel oxides were investigated using the GGA + U approach. It was found that the Co3+ ion undergoes a spin-state transition under specific pressure, which can be controlled by thin-film form and interatomic distances.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Bo Jiang, Tedi-Marie Usher, Palani Raja Jothi, Benard Kavey, Gabriel Caruntu, Katharine Page
Summary: The study demonstrates that the presence of polar ligands on the surface of ferroelectric nanoparticles stabilizes local rhombohedral distortions, providing a different crystal structure in nanoscale materials compared to bulk materials. Combined neutron diffraction and computational methods were used to investigate the effects of surface adsorbates on the properties of nanoscale ferroelectrics.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Materials Science, Multidisciplinary
Sergi Vela, Maria Fumanal, Carmen Sousa
Summary: This study reveals the mechanism of thermally induced spin transitions in a spin-crossover complex and accurately predicts the corresponding temperatures. This approach provides a new pathway for investigating the transition mechanism and temperature dependence of SCO materials.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Inorganic & Nuclear
Laia Navarro, Fileto Rodriguez, Jordi Cirera
Summary: In this study, a computational method was used to investigate the spin-crossover behavior of the [Cr((n-Me)indenyl)(2)] family. A model was developed to describe the impact of functionalizing the indenyl ligand at different positions on the spin-state energy gap and transition temperature. The results revealed that the C4 and C7 positions of the indenyl ligand play a significant role in tuning the SCO properties of such complexes.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Jing Shang, Congxin Xia, Chun Tang, Chun Li, Yandong Ma, Yuantong Gu, Liangzhi Kou
Summary: The bending deformation of AgBiP2Se6 monolayers can manipulate the polarization direction and domain size, significantly improving the ferroelectric stability. This mechano-ferroelectric coupling represents a new mechanism for stabilization and polarization flip in 2D ferroelectrics, with potential applications in next-generation non-volatile storage devices.
NANOSCALE HORIZONS
(2021)
Article
Materials Science, Multidisciplinary
S. Imajo, A. Miyake, R. Kurihara, M. Tokunaga, K. Kindo, S. Horiuchi, F. Kagawa
Summary: The one-dimensional organic salt TTF-QBr(3)I demonstrates a ferroelectric spin-Peierls state in a quantum critical regime, leading to the emergence of spin solitons as topological defects. Strong quantum fluctuations near a quantum critical point enable the high mobility of solitons even at low temperatures.
Article
Chemistry, Multidisciplinary
Rocio Sanchez-de-Armas, Nicolas Montenegro-Pohlhammer, Aysegul Develioglu, Enrique Burzuri, Carmen J. Calzado
Summary: This study investigates the integration of SCO molecules on active nanodevices through quantum chemistry calculations, focusing on the encapsulation of Fe(ii) spin-crossover complexes in single-walled carbon nanotubes. The research reveals that the applied external electric field affects the spin-transition, and the local conditions of the substrate impact the transport properties.
Article
Physics, Applied
Bing Luo, Ruiling Gao, Yin Wang, Heng Gao, Junjie Liu, Wei Ren
Summary: In this study, the spin-dependent quantum transport in a van der Waals heterostructure of bilayer ferromagnetic zigzag-edged graphene/hexagonal-BN nanoribbons (ZGr-BNNRs) is investigated using density-functional theory combined with the Keldysh nonequilibrium Green's-function method. The results reveal a strong odd-even effect of transport across the ZGr-BNNRs, as well as a giant magnetoresistance value observed only in even-width ZGr-BNNRs. Interestingly, this value can be optimized by engineering stacking orders, leading to a perfect spin polarization efficiency of 100% and a magnetoresistance value of over 104 in even-width ZGr-BNNRs. These findings provide a pathway for the design and fabrication of high-performance spin filters and magnetic storage devices.
PHYSICAL REVIEW APPLIED
(2023)
Article
Chemistry, Inorganic & Nuclear
Vibe B. Jakobsen, Shalinee Chikara, Jie-Xiang Yu, Emiel Dobbelaar, Conor T. Kelly, Xiaxin Ding, Franziska Weickert, Elzbieta Trzop, Eric Collet, Hai-Ping Cheng, Grace G. Morgan, Vivien S. Zapf
Summary: The study reveals a giant magnetoelectric effect in a specific compound, where a permanent switching of structural, electrical, and magnetic properties can be induced by applying a magnetic field. This effect is attributed to the change in spin states leading to polarization and symmetry-breaking phase transitions.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Henri Brunner, Masahiro Ikeshita, Takashi Tsuno
Summary: The study revealed that the rotation about the C-alpha-C' bond and the pyramidalization of the sp(2)-hybridized carbon atom are part of a common molecular motion, extending the analysis to various types of compounds. Scatter plots of psi/theta for individual structures showed wavelike patterns during a 360-degree rotation of Cβ about the C-alpha-C' bond, and the pyramidalization of the sp(2)-hybridized group can disrupt the planarity of phenyl rings. Density functional theory calculations confirmed the findings from the CSD search.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Tony Stueker, Xiya Xia, Helmut Beckers, Sebastian Riedel
Summary: Pseudo-tetrahedral nitrido trifluorides equivalent to MF3 (M=Fe, Ru, Os) and square pyramidal nitrido tetrafluorides equivalent to MF4 (M=Ru, Os) were formed by reactions of free metal atoms with NF3 and isolated in solid neon at 5 K. Their IR spectra were analyzed with quantum-chemical calculations, revealing a high-spin (3)A(2) ground state for FeF3.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Physics, Multidisciplinary
Konstantin Z. Rushchanskii, Stefan Bluegel, Marjana Lezaic
Summary: Using density functional theory combined with an evolutionary algorithm, ferroelectricity in substoichiometric HfO2-delta was investigated, revealing that oxygen vacancies tend to form two-dimensional extended defects. The two lowest-energy patterns result in polar monoclinic structures with different transformation properties.
PHYSICAL REVIEW LETTERS
(2021)
Editorial Material
Chemistry, Physical
Leiqing Hu, Haiqing Lin
Summary: The carbonization of crosslinked polyimides with kinked structures results in carbon molecular sieves with bimodal free volumes, allowing for high molecular sieving capability and gas permeability.
Article
Chemistry, Multidisciplinary
Leiqing Hu, Kaiwen Chen, Won-Il Lee, Kim Kisslinger, Clayton Rumsey, Shouhong Fan, Vinh T. Bui, Narjes Esmaeili, Thien Tran, Yifu Ding, Martin Trebbin, Chang-Yong Nam, Mark T. Swihart, Haiqing Lin
Summary: This study demonstrates that branched nanorods with controlled aspect ratios can reduce the required loading for superior gas separation properties while maintaining excellent processability. The advantage of nanorods over nanoparticles and nanowires is highlighted, and right-sizing nanofillers is critical to construct highly sieving pathways.
ADVANCED MATERIALS
(2023)
Article
Physics, Multidisciplinary
Guangyu Wang, Ke Yang, Yaozhenghang Ma, Lu Liu, Di Lu, Yuxuan Zhou, Hua Wu
Summary: The electronic and magnetic properties of MnPSe3 monolayer are studied and found to be a charge transfer antiferromagnetic insulator, with the dominant role played by the nearly 90° Mn-Se-Mn charge transfer type superexchange. Furthermore, spin orientation and Neel temperature are affected by strain and spin-orbit coupling, and the results agree with experiments.
CHINESE PHYSICS LETTERS
(2023)
Article
Oncology
Hong Chen, Yuming Zhang, Yirong Jiang, LiE Lin, Shuqin Cheng, Xiaojun Xu, Xiong Zhang, Haiqing Lin, Zhenqian Huang, Qiang Wang, Xuan Zhou, Hong Qu, Xiaoli Liu, Weiming Li, Na Xu
Summary: This study investigated barriers to physician use of published evidence-based guidelines in chronic myeloid leukemia (CML) management in a real-world setting. Despite the majority of physicians acknowledging the usefulness of CML guidelines, only a fraction of them actually followed the guidelines in practice. There were discrepancies between physicians' treatment preferences and actual practices, indicating a need for improvement in the details of CML management.
LEUKEMIA & LYMPHOMA
(2023)
Article
Chemistry, Multidisciplinary
Shasha Li, Ruoqi Ai, Ka Kit Chui, Yini Fang, Yunhe Lai, Xiaolu Zhuo, Lei Shao, Jianfang Wang, Hai-Qing Lin
Summary: Researchers report a facile plasmonic approach for electrically controlled spatial modulation of exciton emissions in a WS2 monolayer. The emission routing is enabled by the resonance coupling between WS2 excitons and multipole plasmon modes in individual silver nanorods, and can be modulated by the doping level of the WS2 monolayer. This work offers great opportunities for the development of nanoscale light sources and nanophotonic devices.
Article
Engineering, Chemical
Farhang Pazani, Mehrdad Shariatifar, Mohammad Salehi Maleh, Taliehsadat Alebrahim, Haiqing Lin
Summary: Mixed matrix hollow fiber composite membranes (MM-HFCMs) combine the excellent processability of polymers with the unique separation properties of nanofillers, resulting in high packing density and superior CO2/gas separation performance. This review provides a comprehensive overview of the advancement of MM-HFCMs for practical CO2 separations. It covers membrane configurations, fabrication methods, membranes with superior separation properties, strategies to mitigate interfacial incompatibility, and parameters defining enhancement of separation properties by nanofillers.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Erda Deng, Xiaoyi Chen, Darius Rub, Haiqing Lin
Summary: In this study, the dewatering performance of commercial polyethersulfone (PES) microfiltration (MF) membranes was evaluated using an integrated experiment and modeling approach. The effects of algae concentration, testing time, feed flow rate, and chemical cleaning on the dewatering performance and fouling-layer morphology were investigated. The fouling behavior was successfully described using the Hermia and gel layer models with a gel concentration of 48 g/L for algae solutions. Furthermore, hydrophilic zwitterions were grafted onto the PES membrane surface, which mitigated fouling.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Jing Wang, Jiapeng Zheng, Kwai Hei Li, Jianfang Wang, Hai-Qing Lin, Lei Shao
Summary: Chiral plasmonic nanostructures have attracted attention for their strong optical response and superchiral near-fields. This study demonstrates that chiral cavity plasmon resonances can enhance the chiral optical response of film-coupled chiral Au helicoid nanoparticles. Furthermore, the chiral cavity mode can modulate the emission polarization of a point electric dipole, enabling the emission of circularly polarized photons. These findings provide a promising platform for advanced chiral optical devices.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Physics, Multidisciplinary
Guoren Zhang, Eva Pavarini
Summary: The low-energy jeff = 1/2 band of Sr2IrO4 shows similarities with the x2 - y2 band of La2CuO4, but no superconductivity has been observed in Sr2IrO4 even after doping. The failures of the jeff = 1/2 picture may be the reason behind this. However, our reanalysis using the local-density approximation plus dynamical mean-field theory approach suggests that the jeff = 1/2 state remains stable upon doping, supporting the existence of the jeff = 1/2 picture. Additionally, we find that Sr2IrO4 is a multiorbital system due to the hybridization with the jeff = 3/2 orbitals, which affects the Mott gap and the behavior of holes in the system.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Yulong Huang, Jennifer L. Gottfried, Arpita Sarkar, Gengyi Zhang, Haiqing Lin, Shenqiang Ren
Summary: This article reports a molecular ionic ferroelectric material that exhibits both room-temperature ionic conductivity and ferroelectricity. The material consists of organic and inorganic ions held together by various forces. These findings provide insights into the development of multifunctional molecular ionic ferroelectrics.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Miao Gao, Peng-Jie Guo, Huan-Cheng Yang, Xun-Wang Yan, Fengjie Ma, Zhong-Yi Lu, Tao Xiang, Hai-Qing Lin
Summary: Applying pressure is essential in synthesizing high-temperature superconducting hydrides. However, stabilizing the high-pressure phase of hydrides under ambient conditions is challenging. By modulating the charge transfer from metal atoms to hydrogen atoms, it is possible to maintain the dynamical stability of the hydride CaBH5 at pressures as low as 1 GPa. This new mechanism, called charge transfer modulated virtual high-pressure effect, enhances the structural stability and enables the reemergence of the forbidden [BH5](2)- anion, resulting in a strongly coupled superconductor CsBH5 with a transition temperature of 98 K.
Article
Materials Science, Multidisciplinary
Lu Liu, Ke Yang, Guangyu Wang, Di Lu, Yaozhenghang Ma, Hua Wu
Summary: The electronic and magnetic properties of RuI3 and RuCl3 were investigated using first-principles calculations. RuI3 was found to be a paramagnetic metal, while RuCl3 exhibited Mott-insulating behavior. The spin-orbital states of the Ru3+ ion in RuI3 and RuCl3 were also determined. The transition from RuI3 bulk to monolayer resulted in a metal-insulator transition, primarily due to band narrowing and altered Ru-I hybridization. This study provides insights into the contrasting properties and spin-orbital states of RuI3 and RuCl3.
Article
Optics
Xiaojian Huang, Kunkun Wang, Lei Xiao, Lei Gao, Haiqing Lin, Peng Xue
Summary: We report an experiment that simulates the charging process of a XXZ Heisenberg Hamiltonian-driven quantum battery using single photons and linear optics. We find that entanglement is not always the most important resource for boosting charging, while coherence plays a significant role. We construct a two-qubit quantum battery and investigate the performance of quantum batteries and their relationship with the amount of entanglement and coherence during charging. Our findings offer insights for designing more efficient quantum devices and advance our understanding of quantum resources.
Article
Chemistry, Analytical
Y. G. Abou El-Reash, Eslam A. Ghaith, Osama El-Awady, Faisal K. Algethami, Haiqing Lin, Ehab A. Abdelrahman, Fathi S. Awad
Summary: Heavy metal ion pollution is a global problem that requires monitoring in environmental water to ensure safety. A highly sensitive and selective mercury ion (Hg2+) fluorescence probe was developed using functionalized graphitic carbon nitride nanosheets. The probe showed excellent performance in terms of sensitivity, stability, selectivity, and minimal toxicity, making it suitable for environmental applications. Its application in detecting Hg2+ ions in fish samples demonstrated its potential for practical use.
JOURNAL OF ANALYTICAL SCIENCE AND TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Hui Li, Zhipeng Sun, Yingze Su, Haiqing Lin, Huaqing Huang, Dingping Li
Summary: This paper presents a formalism for calculating response functions based on the generalized GW (GGW) method, which is applicable to electronic systems with spin-dependent interaction. The formalism automatically ensures the fluctuation-dissipation theorem (FDT) and is theoretically proven to respect the Ward-Takahashi identity (WTI). In contrast, the commonly used random phase approximation (RPA) violates both WTI and FDT within the GGW method, while the Bethe-Salpeter equation (BSE) satisfies WTI but not FDT. The validity of this formalism is demonstrated on the two-dimensional one-band Hubbard model, showing significant improvements over the RPA formula. With a computational cost similar to BSE, our formalism is expected to be applied to realistic materials.