Review
Engineering, Chemical
Yiran Wang, Wen Zhang, Xianjie Zeng, Tao Deng, Jianyou Wang
Summary: Alkali metal and alkaline-earth metal elements have similar properties and their separation is crucial for applications in seawater desalination, resource recovery, and energy storage, key for sustainable development. Membrane technologies, with their eco-friendly and energy-efficient advantages, have been extensively studied in this area and attracted significant attention.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Inorganic & Nuclear
Ting Zhang, Jing-Jing Zheng, Shi-Chao Cheng, Jun-Wei Feng, Chun-Yan Bai
Summary: A novel mixed alkali metal and alkaline earth metal compound with a unique structure has been synthesized using the described method, showing similarities in properties and structure to the classic polyoxometalate Keggin. The compound was studied using various analysis methods, including spectroscopy and density functional calculations.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Peter M. Chapple, Julien Cartron, Ghanem Hamdoun, Samia Kahlal, Marie Cordier, Hassan Oulyadi, Jean-Francois Carpentier, Jean-Yves Saillard, Yann Sarazin
Summary: This study presents the first families of alkaline-earth stannylides and analyzes their properties through a combination of experimental and computational methods, revealing primarily ionic Ae-Sn bonding in these complexes. The research provides insight into the main features of these unique families of homoleptic complexes.
Article
Chemistry, Analytical
Xiao-fang Li, Er-bin Wang, Zhan Zhang, Hai-ying Tian, Yong-ming Xu, Lu Han, Hui Hao, Heng Xu, Jin-yong Song, Wen-zhao Liu, Bei-bei Gao, Xue-bin Zhao, Yu-ping Ma
Summary: The low temperature catalytic pyrolysis performances of heated tobacco sheets by alkali/alkaline earth metal were investigated. The results showed that alkali metal catalysts significantly reduced the maximum weight loss rate temperature and increased the weight loss between 100 and 300 degrees C. Alkaline earth metal catalysts had less influence on these parameters. The concentration of pyrolysis gas and aroma substances increased under the assistance of alkali metal catalysts.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Agricultural Engineering
Miao Wang, Shuai Zhang, Xiangjun Liu, Yayun Ma, Junqi Wang
Summary: A study was conducted on the influence of alkali and alkaline earth metal (AAEM) salts with two different anions (Cl- and CH3COO-) on the catalytic pyrolysis of cellulose to produce levoglucosan (LG), bio-oil, and biochar. The thermogravimetric analyzer (TGA) and lab-scale fixed-bed reactor system were used to determine the thermal degradation process and pyrolysis products. The addition of AAEM salts significantly increased the yield of biochar, while decreasing the output of LG and bio-oil. This study provided important insights into the pathway of cellulose pyrolysis and the utilization of biomass.
INDUSTRIAL CROPS AND PRODUCTS
(2023)
Article
Chemistry, Multidisciplinary
Jayeeta Bhattacharjee, Alok Sarkar, Tarun K. Panda
Summary: Biodegradable polyesters, such as PCL and PLA, are considered for various applications due to their bio-renewability, biodegradability, and biocompatibility. Ring-opening polymerization is an efficient method for preparing polyesters, and polymerization of racemic lactide can achieve excellent stereoregularity without the need for costly chiral auxiliaries. Various methods have been reviewed for the synthesis of biodegradable polyesters using alkali and alkaline earth metal complexes as catalysts.
Review
Chemistry, Organic
Hsien-Cheng Yu, Neal P. Mankad
Summary: This review summarizes recent advances in homogeneous catalysis using heterobimetallic carbonyl catalysts with polar metal-metal interactions, covering hydrogenation, hydrofunctionalization, carbonylation, carboxylation, and oxidative transformations.
SYNTHESIS-STUTTGART
(2021)
Correction
Physics, Multidisciplinary
Ivaylo S. Madjarov, Jacob P. Covey, Adam L. Shaw, Joonhee Choi, Anant Kale, Alexandre Cooper, Hannes Pichler, Vladimir Schkolnik, Jason R. Williams, Manuel Endres
Summary: The paper has been amended and the revised version can be accessed via a link at the top of the paper.
Article
Materials Science, Multidisciplinary
Wenshuai Jiang, Shumin Wang, Xiaoxia Yan, Fei Lin, Zhenxin Li, Xiaofeng Fan, Wu Ren, Guoan Zhao, Yi Yu
Summary: In this study, GO membranes regulated by different ions were prepared. The introduction of alkali metal ions improved the conductivity of RGO membranes, while the introduction of alkaline earth metal ions decreased their conductivity. Additionally, the introduction of ions resulted in significantly different changes in luminescence spectra and microwave reduction effects. These findings have potentially important applications in the preparation, application, and ion detection of GO membranes.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Review
Energy & Fuels
Wen Cui, Peng Chen, Lvcun Chen, Jieyuan Li, Ying Zhou, Fan Dong
Summary: Inserting intercalants between layers of graphitic carbon nitride can strengthen the van der Waals force and induce charge redistribution to improve photocatalysis. This review summarizes the latest progress on the design and construction of alkali/alkaline-earth metal intercalated CN, discussing the mechanisms and influence on band structure and optical properties. It also highlights crucial issues for future research.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Materials Science, Ceramics
Ce Li, Xu Zhang, V. C. Onah, Weiling Yang, Zhuang Leng, Xiliang Jiang, Fangming Zhang, Shasha Li, Yong Zhang, Yu Han, Huisheng Liu, Chun Li, Dingfu Zhou, Fanming Zeng
Summary: The effect of alkali metal and alkaline earth metal oxide on the properties of tellurite glass was analyzed. It was found that doping with alkali metals and alkaline earth metals can improve the compactness of the glass, increase luminescence intensity, and improve color purity.
CERAMICS INTERNATIONAL
(2022)
Review
Chemistry, Analytical
Monika Budnicka, Monika Sobiech, Joanna Kolmas, Piotr Lulinski
Summary: This review highlights the importance of detection and determination of s-block metal ions using ion-imprinted polymers. It discusses the application of these materials in environmental, food, and biomedical fields, and identifies the frontiers in the design of s-block metal ion-imprinted polymers. The review concludes with a summary and future perspectives for further development in this field.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Engineering, Environmental
Ye-Eun Lee, Yoonah Jeong, Dong-Chul Shin, Yeong-Seok Yoo, Kwang-Ho Ahn, Jinhong Jung, I-Tae Kim
Summary: This study investigated the behavior of chlorine and AAEM in food waste biochar during pyrolysis, demineralization, and combustion. The results showed that CO2-water demineralization method effectively removed chlorine and AAEM, increasing the combustion value of food waste biochar. Overall, the study provides insights into the application of food waste biochar in co-firing with coal in thermoelectric power plants.
Article
Chemistry, Physical
Qianru Wang, Hong Wen, Yeqin Guan, Shengyuan Zhang, Wenbo Gao, Jianping Guo, Ping Chen
Summary: Mild-condition ammonia synthesis from N-2 and H(2) is achieved using a series of ruthenium complex hydrides AM(n)[RuH(m)] as catalysts, which exhibit high activities surpassing benchmark catalysts. The catalytic behavior depends on the identity of AM cation and is different from conventional promoted Ru metal catalysts. The differences in interaction strengths between AM cations and the reacting N(x)H(y) species play a crucial role in the AM effect, which can be quantitatively mapped out using the N(x)H(y) adsorption energies as descriptors. Based on these findings, a strategy for efficient catalyst development for ammonia synthesis is proposed.
Article
Construction & Building Technology
George Dan Miron, Dmitrii A. Kulik, Yiru Yan, Jan Tits, Barbara Lothenbach
Summary: The new CASH+ core sublattice solid solution model successfully describes the uptake of alkali and alkaline earth cations in calcium-silicate-hydrate (C-S-H) and indicates preferences for certain ions based on factors like pH and C/S ratio. This model extension can be directly applied in geochemical speciation computer programs for accurate predictions and simulations.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Physics, Multidisciplinary
Wissem Zrafi, Hela Ladjimi, Halima Said, Hamid Berriche, Michal Tomza
NEW JOURNAL OF PHYSICS
(2020)
Article
Optics
Michal Smialkowski, Tatiana Korona, Michal Tomza
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2020)
Article
Physics, Multidisciplinary
Anna Dawid, Patrick Huembeli, Michal Tomza, Maciej Lewenstein, Alexandre Dauphin
NEW JOURNAL OF PHYSICS
(2020)
Article
Physics, Multidisciplinary
Michal Tomza
Summary: The study calculates potential energy curves, permanent electric dipole and quadrupole moments, and static electric dipole polarizabilities for YbCu, YbAg, and YbAu molecules in their ground electronic states. The molecules exhibit relatively strong binding, large permanent electric dipole moments, and potential applications in ultracold controlled chemistry, dipolar many-body physics, or precision measurement experiments.
NEW JOURNAL OF PHYSICS
(2021)
Article
Multidisciplinary Sciences
Pascal Weckesser, Fabian Thielemann, Dariusz Wiater, Agata Wojciechowska, Leon Karpa, Krzysztof Jachymski, Michal Tomza, Thomas Walker, Tobias Schaetz
Summary: In this study, Feshbach resonances between ions and atoms were demonstrated, providing deeper insights into atom-ion interactions. The results offer access to complex many-body systems and applications in experimental quantum simulation.
Article
Physics, Multidisciplinary
Marta Sroczynska, Anna Dawid, Michal Tomza, Zbigniew Idziaszek, Tommaso Calarco, Krzysztof Jachymski
Summary: Ultracold molecules trapped in optical tweezers have potential for quantum technologies and precision measurements. Controlling two interacting polar molecules in separate traps using an external electric field enables quantum computing schemes, with estimated operation timescales in the range of microseconds.
NEW JOURNAL OF PHYSICS
(2022)
News Item
Physics, Multidisciplinary
Michal Tomza
Summary: A method based on quantum logic techniques has been demonstrated to detect inelastic collisions in a hybrid ion-atom platform, enabling control of chemical reactions at ultralow temperatures.
Article
Chemistry, Physical
Leonid Shirkov, Michal Tomza
Summary: The isotropic and anisotropic coefficients C-n(l,m) of long-range spherical expansion in the dispersion and induction intermolecular energies are calculated for complexes containing aromatic molecules and alkali or alkaline-earth-metal atoms. The properties of the aromatic molecules and alkali or alkaline-earth-metal atoms are obtained using response theory and analytical wavefunctions. The dispersion and induction coefficients with n > 6 are shown to be important for accurately predicting interaction energy in the van der Waals region at R approximate to 6 A. These long-range potentials are valuable for spectroscopic and scattering studies.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Jacek Szczepkowski, Marcin Gronowski, Anna Grochola, Wlodzimierz Jastrzebski, Michal Tomza, Pawel Kowalczyk
Summary: This study focuses on the excited electronic states of the strontium dimer and compares theoretical calculations with experimental results. The accuracy and limitations of the theoretical models are assessed, paving the way for future more accurate theoretical and experimental spectroscopic studies.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Physics, Multidisciplinary
Juliana J. Park, Hyungmok Son, Yu-Kun Lu, Tijs Karman, Marcin Gronowski, Micha l Tomza, Alan O. Jamison, Wolfgang Ketterle
Summary: Collisional resonances between ultracold NaLi molecules and Na atoms have been experimentally mapped and theoretically analyzed, providing unprecedented insight into the nature and couplings of the strongly interacting complexes.
Article
Chemistry, Physical
Jacek Szczepkowski, Marcin Gronowski, Anna Grochola, Wlodzimierz Jastrzebski, Michal Tomza, Pawel Kowalczyk
Summary: This study focuses on excited electronic states of the strontium dimer, comparing theoretical calculations with experimental results to evaluate the accuracy and limitations of the employed theoretical models. The research provides a foundation for future more accurate theoretical and experimental spectroscopic studies.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Optics
Krzysztof Jachymski, Marcin Gronowski, Michal Tomza
Summary: We study the properties of intermediate four-atom complexes formed in bimolecular collisions, which play a critical role in understanding losses in experiments with ultracold alkali-metal molecules. The variation in nuclear spin-spin and quadrupole couplings can couple different rotational manifolds, increasing the density of states and lifetimes of the collision complexes. By using quantum-chemical methods, we estimate the coupling constants for bialkali four-atom complexes and model the reaction kinetics. We also find that the interaction-induced variation of electron spin-nuclear spin couplings can explain the long lifetime of alkali-metal three-atom complexes formed in atom-molecule collisions.
Article
Computer Science, Artificial Intelligence
Anna Dawid, Patrick Huembeli, Michal Tomza, Maciej Lewenstein, Alexandre Dauphin
Summary: This article presents a model-agnostic toolbox for interpretability and reliability in machine learning applied to physics and science, allowing for increased understanding and trust in model predictions.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2022)
Article
Optics
Klaudia Zaremba-Kopczyk, Michal Tomza
Summary: Alkaline-earth-like transition-metal atoms such as Zn and Cd are studied theoretically in diatomic molecules, which are shown to be chemically reactive weakly bound van der Waals complexes with small permanent electric dipole moments in the ground electronic state. These results may have implications for the spectroscopy and application of these molecules in modern ultracold physics and chemistry experiments.
Article
Optics
Michal Smialkowski, Michal Tomza
Summary: The properties of highly polar diatomic molecules containing S-2-state transition-metal atoms were theoretically investigated. Various molecular properties such as potential energy curves, permanent electric dipole moments, spectroscopic constants, and leading long-range dispersion-interaction coefficients were calculated. The studied molecules exhibit strongly bound covalent or ionic bonds in the ground electronic state, resulting in very large permanent electric dipole moments.
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)
