Article
Chemistry, Inorganic & Nuclear
Xi Chen, Sergei Sapchenko, Wanpeng Lu, Ming Li, Meng He, Yinlin Chen, Mark D. Frogley, Ivan da Silva, Sihai Yang, Martin Schroder
Summary: Metal-organic framework (MOF) materials have gained increasing interest in electronics due to their diverse structures, intrinsic porosity, and designable host-guest interactions. In this study, we investigated the dielectric properties of a series of robust materials, MFM-300(M) (M = Al, Sc, Cr, Fe, Ga, In), upon exposure to different guest molecules. We found that MFM-300(Fe) showed the highest increase in dielectric constant when adsorbing NH3, indicating its potential as a powerful dielectric-based sensor for NH3. Structural analysis and spectroscopy confirmed the electron delocalization induced by host-guest interactions between NH3 and the MOF host, resulting in structural polarization and a high dielectric constant.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Wen-Qi Tang, Ying-Jie Zhao, Ming Xu, Jin-Ya Xu, Sha-Sha Meng, Yun-Dong Yin, Qing-Hua Zhang, Lin Gu, Da-Huan Liu, Zhi-Yuan Gu
Summary: Control over the stacking modes of metal-organic framework (MOF) nanosheets can lead to excellent gas chromatographic separations. Different solvents can induce twisted stacking of nanosheets, while alkanes may result in untwisted stacking.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Qinlong Hong, Wenjing Wang, Shumei Chen, Ke Chen, Meng Liu, Hai-Xia Zhang, Jian Zhang
Summary: A novel microporous boron imidazolate framework (BIF-108-Zn) has been reported for efficient separation of ethylene and ethane by integrating organic ligands and extra-framework species as pore partition agents. The structure features high pore volume, reduced pore size, and functionalized pore surface for preferential binding of ethane. Dynamic breakthrough measurements show that BIF-108-Zn can produce polymer-grade ethylene with good regenerability and high stability.
CHEMISTRY OF MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Peiren Liu, Fang Fang, Haochen Wang, Niveen M. Khashab
Summary: Stimuli-responsive or smart materials have had a significant impact on material science and engineering, thanks to the exponential development of synthetic host molecules (SHMs) and their corresponding host-guest chemistry. This Minireview presents recent advancements in synthetic host-based smart materials, including fabrication strategies and state-of-the-art applications such as adsorption, separation, luminescence, self-healing, and actuation. The role of host-guest chemistry is highlighted throughout to showcase the potential of emerging materials for future economies.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Jiangnan Li, Xue Han, Xinchen Kang, Yinlin Chen, Shaojun Xu, Gemma L. Smith, Evan Tillotson, Yongqiang Cheng, Laura J. McCormick McPherson, Simon J. Teat, Svemir Rudic, Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Martin Schroder, Sihai Yang
Summary: This study reports a method of separating propylene and ethylene from propane, ethane, and acetylene using a microporous material, and reveals the mechanism of synergistic host-guest interactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Philip M. Stanley, Johanna Haimerl, Christopher Thomas, Alexander Urstoeger, Michael Schuster, Natalia B. Shustova, Angela Casini, Bernhard Rieger, Julien Warnan, Roland A. Fischer
Summary: The co-immobilization of a CO2 reduction catalyst and a photosensitizer within metal-organic frameworks was studied, with specific host pore size affecting the spatial location of the catalyst and photosensitizer. This spatial arrangement influenced catalyst stability, electronic communication, and catalytic rates, providing insights for an optimized supramolecular layout.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Mengke Li, Xinyi Cai, Zijian Chen, Kunkun Liu, Weidong Qiu, Wentao Xie, Liangying Wang, Shi-Jian Su
Summary: The host-guest doping system has shown great potential in stimulating bright and persistent room-temperature phosphorescence. Despite encountering obstacles in exploring the structure-property relationship of bicomponent systems, promising heterocyclic isomers were synthesized to achieve highly efficient RTP performance by encapsulating them into a phosphorus-containing host. Detailed photophysical characterization and MD simulation were conducted to reveal the structure-property relationships in such systems.
Article
Chemistry, Multidisciplinary
Jieyu Zheng, Larissa K. S. von Krbek, Tanya K. Ronson, Jonathan R. Nitschke
Summary: Spin-crossover (SCO) metal-organic cages have the potential to be used as magnetic sensors and switches. Variations in the donor strength of heterocyclic aldehyde subcomponents in imine-based ligands can tune the ligand field for a Fe-II center, resulting in diverse SCO behaviors in the cages. The tetrahedral SCO cage built from 1-methyl-1H-imidazole-2-carbaldehyde can encapsulate various guests and stabilize different cage spin states depending on guest size. The SCO tetrahedron also exhibits different affinities for guests in different spin states, which is attributed to subtle structural differences caused by the change in the metal center spin state.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Multidisciplinary Sciences
Junkai Cai, Liang Zhao, Cheng He, Yanan Li, Chunying Duan
Summary: The study develops a novel coenzyme-mediated supramolecular host-guest semibiological system integrating artificial and enzymatic catalysis for photocatalytic hydrogen evolution. This approach enables effective proton reduction inside the artificial host, paving a unique avenue for synergic combination of abiotic and biotic synthetic sequences in photocatalytic fuel and chemical transformation.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Lixia Guo, Xue Han, Yujie Ma, Jiangnan Li, Wanpeng Lu, Weiyao Li, Daniel Lee, Ivan da Silva, Yongqiang Cheng, Svemir Rudic, Pascal Manuel, Mark D. Frogley, Anibal J. Ramirez-Cuesta, Martin Schroder, Sihai Yang
Summary: In this study, a systematic investigation of the adsorption mechanism of ammonia in MFM-300(Sc) was conducted using a combination of in situ neutron powder diffraction, inelastic neutron scattering, synchrotron infrared microspectroscopy, and solid-state Sc-45 NMR spectroscopy. The results revealed the formation of reversible host-guest supramolecular interactions, which directly explained the excellent reversibility observed in this material over 90 adsorption-desorption cycles.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Lubin Ni, Jie Gu, Xinyuan Jiang, Hongjie Xu, Zhen Wu, Yuchao Wu, Yi Liu, Ju Xie, Yongge Wei, Guowang Diao
Summary: A POM-CD-COSF crystalline structure was successfully obtained by self-assembling a Krebs-type POM, β-CD units, and two K4SiW12O40-type POMs. The POM-CD-COSF-based battery separator showed excellent performance in mitigating the polysulfide shuttle effect in lithium-sulfur batteries. This was attributed to the fast Li+ diffusion through the supramolecular channel of β-CD, efficient polysulfide-capture ability by the dynamic host-guest interaction of β-CD, and improved sulfur redox kinetics by the bidirectional catalysis of the POM cluster. This research opens up new possibilities for the development of multifunctional supramolecular POM frameworks and their applications in Li-S batteries.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Jun Zhang, Wataru Kosaka, Yasutaka Kitagawa, Hitoshi Miyasaka
Summary: Host-guest electron transfer is a critical factor for functional changes in molecular framework systems. This study achieved reversible magnetic phase transition by adsorbing iodine and demonstrated a significant enhancement in electrical conductivity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Multidisciplinary Sciences
Zongliang Xie, Xiayu Zhang, Hailan Wang, Cheng Huang, Haodong Sun, Mengyang Dong, Lei Ji, Zhongfu An, Tao Yu, Wei Huang
Summary: This study reported a multi-host/guest ultralong organic phosphorescence system with wide-ranging tunable lifetime via changing the host matrix, showing great potential for various applications.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Pavel N. Zolotarev
Summary: Through extracting a large number of crystal structures of ionic coordination polymers, the study used machine learning models to predict the relationship between changes in framework topology and changes in extra framework ion properties. The analysis of feature importance in classifiers revealed a set of important ion properties that can affect the changes in corresponding framework characteristics.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Masatoshi Kawahata, Haruka Yamamoto, Masahide Tominaga, Kentaro Yamaguchi
Summary: Disubstituted adamantanes with nitrophenol moieties were studied for their ability to recognize ketone and ester molecules through multiple intermolecular interactions, capturing the guest molecules through interactions with multiple functional groups.
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)