Article
Chemistry, Inorganic & Nuclear
Jana Jurakova, Jana Dubnicka Midlikova, Jakub Hruby, Andrii Kliuikov, Vinicius Tadeu Santana, Jan Pavlik, Jan Moncol', Erik Cizmar, Milan Orlita, Ivan Mohelsky, Petr Neugebauer, Denis Gentili, Massimiliano Cavallini, Ivan Salitros
Summary: Four pentacoordinate complexes have been synthesized and their structures determined. The magnetic properties of the compounds were investigated, and the relationship between geometry and orbital ordering was discussed. Theoretical calculations were in good agreement with experimental data. Wet lithographic technique was used to evaluate the processability of the complexes and the preparation of microstructured films.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Xiu-Fang Ma, Xin-Da Huang, Li-Min Zheng
Summary: In this paper, two dysprosium complexes containing Dy2O2 motifs and anthracene units were reported, which exhibit slow magnetization relaxation at zero dc field, characteristic of single-molecule magnets (SMMs). Under UV light irradiation, the compounds undergo a photocycloaddition reaction to form linear chain structures, resulting in synergistic changes in photoluminescence and SMM behavior. The results show that the photodimerization of anthracene groups not only inhibits the magnetic relaxation and increases the magnetization reversal barrier, but also eliminates the anthracene group disorder, leading to a significant change in the magnetic dynamics.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Shujing Liu, Mingzhen Zhang, Can Xu, Xinfang Zhang, Sihuai Chen, Jun Yuan, Lihui Jia
Summary: By synthesizing and characterizing two series of lanthanide metal complexes, it was found that different substituents on benzoate ligands led to a change in coordination number and a modification of coordination environment, resulting in a change in single-molecule magnetic behavior.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Zhu Zichun, Luo Haihui, Yin Zefeng, Yin Liangdong, Xu Ruijie, Xie Jiayi, Lei Caihong, Zhang Ting
Summary: The dielectric properties and relaxation behaviors of POK films with different melt draw ratios were studied. Results showed that melt stretching affects the molecular chain orientation and structure, and influences the dielectric performance of the films. Inconsistent dielectric relaxation was observed between the crystalline and amorphous regions.
Article
Chemistry, Multidisciplinary
Ningxin Jiang, Daria D. Nakritskaia, Jiaze Xie, Arun Ramanathan, Sergey A. Varganov, Henry S. La Pierre
Summary: The synthesis and magnetic properties of two pairs of isomeric, exchange-coupled complexes, [LnCl(6)(TiCp2)(3)] (Ln = Gd, Tb), are studied. The complexes exhibit either pseudo-octahedral or trigonal prismatic geometries, resulting in different magnetic behaviors. Ferromagnetic exchange coupling is observed in the trigonal prismatic complexes, while slow magnetic relaxation is observed in the TP-Tb complex. The electronic structures suggest that the trigonal prismatic geometry is critical for the observed magnetic behavior.
Article
Chemistry, Inorganic & Nuclear
Jin-Hua Wang, Mohammad Khurram Javed, Jia-Xin Li, Yi-Quan Zhang, Zhao-Yang Li, Masahiro Yamashita
Summary: The synthesis, crystal structures and magnetic properties of two new double-zigzag-chain cyanobridged heterobimetallic compounds are reported. Both compounds exhibit single-chain behavior with intra-chain ferromagnetic coupling. [(Fe2NiII)-Ni-III] shows an excellent coercive field at 1.8 K, which is the best result among cyano-bridged 3d transition-metal-based single-chain magnets reported so far.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Peng-Bo Jin, Ke-Xin Yu, Qian-Cheng Luo, Ye-Ye Liu, Yuan-Qi Zhai, Yan-Zhen Zheng
Summary: In this study, a family of fully sandwiched arachno-lanthanacarborane complexes were successfully synthesized and their magnetic properties were thoroughly investigated. It was found that the crystal field effect imposed by the ligand influences the energy gaps between ground and excited states in the order of Tb > Dy > Ho > Er. Furthermore, the Tb analogue of this complex family exhibits a high energy barrier to magnetization reversal, observable hysteresis loop up to 4 K, and a relaxation time of 193(17) seconds at 2 K, which sets a new benchmark for Tb3+-based single-molecule magnets.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Wen-Qiang Li, Qiu-Yue Pan, Qing-Ling Ni, Shi-Ming Li, Liu-Cheng Gui, Xiu-Jian Wang
Summary: In this study, three new homometallic complexes were synthesized based on a Schiff base ligand, and their structures and magnetic properties were explored. Complexes Dy1 and Dy6 exhibited typical single-molecule magnet behavior, while complex Dy5 showed single-molecule magnet behavior under a zero dc field.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Kristine Niss
Summary: Traditionally, the aging rate of glasses has been modeled based on temperature and fictive temperature, while density is not explicitly included. However, in equilibrium, the relaxation rate of glasses depends on both temperature and density. This paper presents a generalization of the fictive temperature concept and proposes a density scaling conjecture for aging glasses.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Shuangxi Song, Fan Zhu, Mingwei Chen
Summary: This study demonstrates the liquid nature of hard glasses through broadband stress relaxation experiments. The rheology and dynamic transition of different glass systems can be unified by a universal scaling law in the time-stress-temperature-volume domain. The dynamic response of metallic glasses and other glasses follows a universal scaling law within the framework of fluid dynamics.
Article
Chemistry, Multidisciplinary
Pan-Dong Mao, Shi-Hui Zhang, Nian-Tao Yao, Hui-Ying Sun, Fei-Fei Yan, Yi-Quan Zhang, Yin-Shan Meng, Tao Liu
Summary: In this study, four β-diketone ligands with different substitution N-sites were designed and synthesized, and four cyano-bridged complexes were obtained. Structural analysis revealed that 1 and 4 are binuclear complexes, 2 has a tetragonal structure, and 3 exhibits a stair-like polymer chain structure. Magnetic measurements showed that 1 is a zero-field single-molecule magnet (SMM) and 2-4 are field-induced SMMs.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Yidian Wang, Qian-Cheng Luo, Yuan-Qi Zhai, Peng-Bo Jin, Zhendong Fu, Qi Sun, Fan-Ni Li, Yan-Zhen Zheng
Summary: In this study, two dysprosium(III) single-molecule magnets (SMMs) were synthesized using a pseudoallyl ligand and pentamethylcyclopentadienyl. The SMMs exhibited distinct energy barriers.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Yidian Wang, Qian-Cheng Luo, Yuan-Qi Zhai, Peng-Bo Jin, Zhendong Fu, Qi Sun, Fan-Ni Li, Yan-Zhen Zheng
Summary: In this study, two dysprosium(III) single-molecule magnets (SMMs) were prepared using a pseudoallyl ligand, N,N'-chelating amidinate (Am), and pentamethylcyclopentadienyl (Cp*). The obtained SMMs, [{(AmiPr)-DyCp*(mu-Cl)}2] and [AmdippDyCp*(Cl)(mu-Cl)Li(THF)3], exhibited distinct energy barriers (Ueff) of 97 and 472 K, respectively, with the latter value similar to a homoleptic Cp*-based Dy-SMM.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Shao-Min Xu, Zhong-Wu An, Wei Zhang, Yi-Quan Zhang, Min-Xia Yao
Summary: Based on the organic ligand H2L and dysprosium salts with different anions, two mononuclear and one dinuclear complexes were synthesized and structurally and magnetically characterized. The complexes exhibit different coordination environments for the dysprosium centers, with complex 1 and 3 being octa-coordinated and complex 2 being nine-coordinated. Magnetic measurements and theoretical calculations show unique magnetic behaviors for each complex.
Article
Chemistry, Multidisciplinary
Yun-Lan Li, Zhong-Ming Huang, Hai-Ling Wang, Zhong-Hong Zhu, Fu-Pei Liang, Hua-Hong Zou
Summary: This study synthesized two Dy-8 clusters with opposite framework structures and revealed their excellent molecular magnetic properties. The self-assembly process of the clusters was successfully tracked using HRESI-MS, and a possible self-assembly mechanism was proposed.
Article
Physics, Multidisciplinary
Maxim O. Lavrentovich, Dima Bolmatov, Jan-Michael Y. Carrillo
Summary: Using molecular dynamics simulations, the researchers studied a driven, nonadditive binary mixture of spherical particles in a two-dimensional explicit solvent. They found that without a drive, the mixture phase separates and coarsens with an Ising-like conserved dynamics. However, when a drive is applied, coarsening is arrested and large density fluctuations occur, with domains of characteristic size forming. The researchers also discovered that these domains are anisotropic and can be oriented parallel or perpendicular to the drive direction. They emphasize the importance of introducing explicit solvent particles to break the Galilean invariance of the system.
NEW JOURNAL OF PHYSICS
(2023)
Article
Polymer Science
Kun Song, Dong Liu, Lin-Feng Wu, Zhe Wang
Summary: The growth of lamellar crystals in stretched crosslinked high-density polyethylene samples was investigated using in situ small-angle X-ray scattering and wide-angle X-ray diffraction. The growth process was found to undergo three stages: interface-controlled, diffusion-controlled, and crystal perfection stages through the Ostwald ripening mechanism. The transitions between stages were affected by chain diffusion, chain consumption, and depletion of crystallizable chains.
Article
Polymer Science
Zhixing Huang, Yashasvi Bajaj, Jan-Michael Y. Carrillo, Yohei Nakanishi, Kiminori Uchida, Kazuki Mita, Takeshi Yamada, Tsukasa Miyazaki, Bobby G. Sumpter, Maya Endoh, Tadanori Koga
Summary: The interface between the polymer matrix and carbon fiber (CF) in carbon fiber reinforced polymers (CFRPs) significantly affects the macroscopic properties of CFRPs. This study characterized the bound polymer layer (BPL) on the CF surface using experimental and simulation techniques, and found that the crystallinity of the BPL was lower than the bulk, and the bound chains exhibited faster dynamics and formed a high-density region near the CF surface.
Article
Chemistry, Physical
Abash Sharma, Yu Zhu, Eric J. Spangler, Jan-Michael Y. Carrillo, Mohamed Laradji
Summary: This study investigates the adhesion and endocytosis modes of two spherocylindrical nanoparticles (SCNPs) on planar and tensionless lipid membranes through systematic molecular dynamics simulations. The results show that under weak adhesion energy, the SCNPs adhere to the membrane individually in a parallel mode. As the adhesion energy increases, the SCNPs form wedged dimers with an obtuse angle between their major axes. The final adhesion state and endocytosis mode of the SCNPs are strongly influenced by their initial distance and the value of adhesion energy.
Article
Biophysics
Kangdi Sun, Tooba Shoaib, Mark W. Rutland, Joseph Beller, Changwoo Do, Rosa M. Espinosa-Marzal
Summary: Interactions between molecules in synovial fluid and cartilage surface are important for the formation of adsorbed films in cartilage boundary lubrication. Osteoarthritis (OA) is common and leads to breakdown and reduced concentration of hyaluronan (HA) in joints. This study explored the structural changes of lipid-HA complexes under different HA concentrations and molecular weights to mimic physiological conditions. The results indicate that low molecular weight HA cannot form an amorphous layer on a gold surface, potentially contributing to increased wear in OA diseased joints.
Article
Polymer Science
Huarui Wu, Dejia Kong, Lin-Feng Wu, Yubin Ke, Mark Robertson, Lilin He, Zhe Wang
Summary: We experimentally investigated the structure, dynamics, and linear rheology of dendrimer solutions as a model system for Gaussian-core fluids and ultrasoft colloids. We compared the results with a coarse-grained approach. Our findings revealed unexpected behaviors, such as plasticine-like particle packing in the overpacked regime and counterintuitive softening of interparticle interaction under densification. These observations highlight the crucial role of intraparticle complexity in the structure and dynamics of ultrasoft colloids.
Article
Materials Science, Multidisciplinary
Chi-Huan Tung, Shou-Yi Chang, Ming-Ching Chang, Jan-Michael Carrillo, Bobby Sumpter, Changwoo Do, Wei-Ren Chen
Summary: A machine learning solution is proposed to solve the potential inversion problem in elastic scattering. The proposed solution consists of a generative network using a variational autoencoder to extract the targeted static two-point correlation functions from experimentally measured scattering cross sections, and a Gaussian process framework for probabilistically inferring the relevant structural parameters. A case study on charged colloidal suspensions is used to critically evaluate the feasibility of this approach for quantitative study of molecular interaction and demonstrate its advantages over existing deterministic approaches in terms of numerical accuracy and computational efficiency.
Article
Materials Science, Multidisciplinary
Bobby G. Sumpter, Kunlun Hong, Rama K. Vasudevan, Ilia Ivanov, Rigoberto Advincula
Summary: With new instrumentation design, robotics, and in-operando hyphenated analytical tool automation, the intelligent discovery of synthesis pathways is becoming feasible, potentially bridging the gap for the scale-up of new materials.
Article
Nanoscience & Nanotechnology
Holland Hysmith, So Yeon Park, Jonghee Yang, Anton V. Ievlev, Yongtao Liu, Kai Zhu, Bobby G. Sumpter, Joseph Berry, Mahshid Ahmadi, Olga S. Ovchinnikova
Summary: Moving towards a future of efficient, accessible, and less carbon-reliant energy devices has been a major focus of energy research innovations for the past three decades.The use of metal-halide perovskite (MHP) thin films has garnered significant attention due to their flexible device applications and tunable capabilities to enhance power conversion efficiency. A hybrid approach of chemical bath deposition (CBD) and nanoparticle SnO2 substrate processing has been found to greatly improve the performance of (FAPbI(3))(0.97)(MAPbBr(3))(0.03) by reducing micro-strain in the SnO2 lattice and allowing for the distribution of K+ ions to passivate defects at the interface. This results in higher current generation in both light and dark environments. Understanding the ion distribution at the SnO2 and perovskite interface can effectively reduce the formation of defects and promote more efficient MHP devices.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Young-Jin Yoon, Jae-Min Ha, Hyuk-Jin Seo, Jong Dae Jang, Changwoo Do, Tae-Hwan Kim
Summary: In this study, temperature-sensitive binary nanoparticle superlattices (BNSLs) were fabricated in complexes of gold nanoparticles, Brij 58 surfactant, and water using a two-step evaporation method. Depending on the size and concentration of the gold nanoparticles, three types of BNSLs, including CaF2, AlB2, and NaZn13, were self-assembled, which exhibited temperature sensitivity. This study demonstrates the temperature- and particle size-dependent control of BNSLs in the bulk state without the covalent functionalization of nanoparticles.
Article
Chemistry, Multidisciplinary
Nathaniel Prine, Zhiqiang Cao, Song Zhang, Tianyu Li, Changwoo Do, Kunlun Hong, Camille Cardinal, Travis L. Thornell, Sarah E. Morgan, Xiaodan Gu
Summary: Atomic-force microscopy coupled with infrared spectroscopy (AFM-IR) simultaneously maps surface morphology and chemical composition of thin-film polymer blends and composites. Overlapping infrared absorption bands between different species make quantitative analysis challenging. Isotope labeling with carbon-deuterium vibration allows distinguishing blend phases and enables nanoscale domain composition analysis.
Article
Chemistry, Physical
Zhiqiang Cao, Zhaofan Li, Sara A. Tolba, Gage T. Mason, Miao Xiong, Michael U. Ocheje, Amirhadi Alesadi, Changwoo Do, Kunlun Hong, Ting Lei, Simon Rondeau-Gagne, Wenjie Xia, Xiaodan Gu
Summary: We studied the chain conformation and optical properties of high-performance donor-acceptor conjugated polymers at the single-chain level. The length of side chains and the presence of branch points play a critical role in the chain conformation and optical absorption. Considering the rigidity and coplanarity of the polymer backbone is important for achieving desired optoelectronic properties.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Jiawei Tang, Shaohan Li, Duo Wang, Qi Zheng, Jing Zhang, Tao Lu, Jin Yu, Litao Sun, Baisheng Sa, Bobby G. Sumpter, Jingsong Huang, Weiwei Sun
Summary: Recently, two-dimensional FeSe-like anti-MXenes composed of late d-block transition metals and p-block nonmetals have been investigated experimentally and theoretically. In this study, three 2D borides (FeB, CoB, and IrB) were examined to understand their properties and potential applications. The FeB XMene monolayer was found to exhibit robust ferromagnetism with a high Curie temperature and magnetic anisotropic energy. Additionally, it also showed thermal spin current and spin filtration, making it a promising material for information storage and emerging spintronic devices.
NANOSCALE HORIZONS
(2023)
Article
Multidisciplinary Sciences
Zening Liu, Jong K. Keum, Tianyu Li, Jihua Chen, Kunlun Hong, Yangyang Wang, Bobby G. Sumpter, Rigoberto Advincula, Rajeev Kumar
Summary: In this study, the conformational hypotheses of polyzwitterions (PZs) in dilute aqueous solutions are tested by investigating the effects of added salt on the gyration and hydrodynamic radii of poly(sulfobetaine methacrylate). The results reveal the importance of salt in affecting the net charge and conformations of PZs, with the observations of antipolyelectrolyte and polyelectrolyte effects.
