Article
Chemistry, Multidisciplinary
Zafer Acar, Phu Nguyen, Kah Chun Lau
Summary: Ionic liquids have great potential for energy storage and conversion devices, but their practical application is limited due to unfavorable melting points. Accurate prediction of the melting points is important for fine tuning their properties. A deep-learning model was used to predict the melting points of various ionic liquids, achieving high accuracy and providing useful design rules for tuning their melting points.
APPLIED SCIENCES-BASEL
(2022)
Article
Engineering, Chemical
Francesco Galiano, Raffaella Mancuso, Lorenzo Guazzelli, Michele Mauri, Cinzia Chiappe, Roberto Simonutti, Adele Brunetti, Christian S. Pomelli, Giuseppe Barbieri, Bartolo Gabriele, Alberto Figoli
Summary: This study developed novel polymeric membranes based on polymerized ionic liquids for CO2 separation, which showed a preference towards CO2 permeation in wet conditions and some membranes exceeded the Robeson upper bound for the CO2/H2 gas pair.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Chemistry, Physical
Arash Khajeh, Md Hafizur Rahman, Ting Liu, Pawan Panwar, Pradeep L. Menezes, Ashlie Martini
Summary: The thermal stability of ionic liquids is influenced by the chemistry of the ions. This study demonstrated that phosphonium benzoate is less stable than phosphonium salicylate, and the cation chain length has little effect on thermal stability. The thermal decomposition mechanisms were categorized into proton-transfer, association, and dissociation reactions, and phosphonium benzoate exhibited a wider range of reaction pathways compared to phosphonium salicylate.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
A. Garcia Tuero, M. Bartolome, D. Goncalves, J. L. Viesca, A. Fernandez-Gonzalez, J. H. O. Seabra, A. Hernandez Battez
Summary: The study investigated the effects of three phosphonium-based ionic liquids on the performance of two greases. [P-6,P-6,P-6,P-14][TCM] improved thermal stability, while [P-6,P-6,P-6,P-14][BEHP] showed superior antiwear behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Dhruve Kumar Mital, Paul Nancarrow, Samira Zeinab, Nabil Abdel Jabbar, Taleb Hassan Ibrahim, Mustafa I. Khamis, Alnoman Taha
Summary: In recent years, several group contribution method (GCM) models have been developed for the prediction of ionic liquid (IL) properties, with challenges including reliance on different datasets and limited IL range. This study focuses on two diverse GCMs for estimating IL melting points, refining one model to improve performance. The comprehensive database compiled here aids in targeted design of ILs for materials and energy applications.
Article
Chemistry, Multidisciplinary
Wataru Yoshida, Masahiro Goto
Summary: The study examined the effects of structural modification on the performance of APILs as rhodium(iii) extractants, with [3 degrees C2P444][Cl] showing outstanding performance in extracting rhodium(iii) from HCl solution.
Article
Chemistry, Physical
Syane A. Satyawirawan, Robert W. Cattrall, Spas D. Kolev, Ines G. S. Almeida
Summary: This study investigated the solvent extraction of Co(II) from aqueous solutions using the ionic liquids [P66614][C272] and [P66614][SCN]. The results showed that the cation of the ionic liquids participated in the formation of ion-pairs in the organic phase, maintaining electroneutrality. The Co(II) coordination sphere geometry was tetrahedral, and the stoichiometric mole ratios between the ionic liquids and Co(II) were determined. The extraction of Co(II) was enhanced when the aqueous phase contained an anion with high lipophilicity.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Environmental Sciences
Diego Errazquin, Aminou Mohamadou, Laurent Dupont, Yannick De Gaetano, Cristina B. Garcia, Laura Lomba, Beatriz Giner
Summary: The study found that the toxicity of different bromide-based ionic liquids towards environmental biomodels varies, with ammonium ionic liquids generally being more toxic than phosphonium-based ones. Predictions suggest significant toxicity but not genotoxic or nongenotoxic carcinogenicity for the studied ionic liquids.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Engineering, Mechanical
Ashish K. Kasar, Carlton J. Reeves, Pradeep L. Menezes
Summary: This study investigated the addition of various types of solid particles and carbon nanotubes in Ionic Liquids, finding that nano-sized particles improved tribological properties. The influence of particulate additives was empirically modeled using a fractal function based on particle size and roughness.
TRIBOLOGY INTERNATIONAL
(2022)
Article
Biochemistry & Molecular Biology
Carlos A. Pena, Alberto Puga, Andreas Metlen, Ana Soto, Hector Rodriguez
Summary: Non-dissolving pretreatment can reduce the crystallinity of cellulose and improve its reactivity without affecting its degree of polymerization and thermal stability.
Article
Chemistry, Physical
Cettina Bottari, Sara Catalini, Paolo Foggi, Ines Mancini, Andrea Mele, Diego Romano Perinelli, Alessandro Paciaroni, Alessandro Gessini, Claudio Masciovecchio, Barbara Rossi
Summary: Hydrated ionic liquids (ILs) have been found to enhance the structural stability of DNA. The cations and anions of ILs strongly interact with the DNA structure, affecting the melting process but not perturbing the pre-melting transition. The dominant interaction occurs between the imidazolium cation and the guanine and thymine bases in DNA structure.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
M. Bartolome, D. Goncalves, A. Garcia Tuero, R. Gonzalez, A. Hernandez Battez, J. H. O. Seabra
Summary: Two phosphonium-derived ionic liquids (IL1 and IL2) were added to lithium complex (G1) and anhydrous calcium-based (G2) greases at a concentration of 5 wt%. Friction torque and wear tests were performed to evaluate the effects of the ILs on the friction and wear properties of the greases. IL2 showed improved friction reduction performance for both greases, especially G1. Both ILs improved the antiwear behavior of G2 and IL2 also helped alleviate the oxidation and thermal aging issues in G2.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Electrochemistry
Nedher Sanchez-Ramirez, Ivonne E. Monje, Daniel Belanger, Pedro H. C. Camargo, Roberto M. Torresi
Summary: This study investigates the impact of the length of the phosphonium alkyl chain on FSI-based ionic liquids (ILs) as electrolyte solvents for Li/Si half-cell with Si electrodes. The electrochemical performance of Si nano-particles in the ILs is compared to a common organic electrolyte using different binders. The results show that the performance of the Si electrodes in ILs is superior to that of the organic electrolyte, and the chemical structure of the phosphonium cation has a significant influence on the electrochemical behavior of the Si anode.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Ruan R. Henriques, Bluma G. Soares
Summary: This study discusses the performance of sepiolite modified with phosphonium-based ionic liquids as anti-corrosive pigment for epoxy resin coatings, showing enhanced corrosion resistance and outstanding barrier properties provided by the modified sepiolite with ionic liquids for epoxy resins.
APPLIED CLAY SCIENCE
(2021)
Article
Polymer Science
Liutong Hou, Jean-Francois Gerard, Sebastien Livi, Jannick Duchet-Rumeau
Summary: In this study, LIonomers based on phosphonium ionic liquids were developed and their interactions with maleic anhydride-grafted polypropylene were investigated. The viscosity and mechanical properties of the LIonomers were studied, and the effect of the phosphonium ILs on crystallization process and ductility was observed.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Adela Benchea, Benjamin Siu, Mohammad Soltani, JaMichael H. McCants, E. Alan Salter, Andrzej Wierzbicki, Kevin N. West, James H. Davis
NEW JOURNAL OF CHEMISTRY
(2017)
Article
Chemistry, Organic
Mohammad Soltani, Benjamin Siu, E. Alan Salter, Andrzej Wierzbicici, Kevin N. West, James H. Davis
TETRAHEDRON LETTERS
(2017)
Review
Chemistry, Multidisciplinary
Brooks D. Rabideau, Kevin N. West, James H. Davis
CHEMICAL COMMUNICATIONS
(2018)
Article
Engineering, Chemical
Meagan A. Bunge, Aaron B. Davis, Kevin N. West, Christy Wheeler West, T. Grant Glover
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2018)
Article
Engineering, Chemical
Amanda Brown, Mack Bozman, Tanner Hickman, Mohammad I. Hossain, T. Grant Glover, Kevin N. West, Christy-Wheeler West
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2019)
Article
Polymer Science
Chandan Giri, Sarah E. Sisk, Louis Reisman, Irshad Kammakakam, Jason E. Bara, Kevin N. West, Brooks D. Rabideau, Paul A. Rupar
Summary: The study explores the anionic ring-opening polymerization of sulfonylaziridines in ionic liquids. In imidazolium ILs, the polymerization is not controlled due to poor solubility and solvent-transfer reactions, while in phosphonium ILs, it is controlled and living, allowing for sequential block copolymer synthesis. The slower polymerization rates in ILs compared to traditional polar solvents like DMF may be attributed to better monomer/anion organization in DMF and poorer mobilities in ILs.
Review
Chemistry, Inorganic & Nuclear
Benjamin Siu, Aminur Rashid Chowdhury, Ziwen Yan, Simon M. Humphrey, Tanya Hutter
Summary: Volatile organic compounds (VOCs) are harmful air pollutants that originate from industrial chemical processes. Metalorganic frameworks (MOFs) have been studied as potential adsorbents for VOC capture due to their flexible structure and large surface area. This review summarizes recent developments in the selective adsorption of different classes of VOCs by MOFs and discusses methods for enhancing the hydrophobicity of MOF micropores. It also explores the commercialization and scale-up of MOFs in various industries.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Physical
Richard A. O'Brien, Patrick C. Hillesheim, Mohammad Soltani, Kelly J. Badilla-Nunez, Ben Siu, Muhammadiqboli Musozoda, Kevin N. West, James H. Davis Jr, Arsalan Mirjafari
Summary: The replacement of unsaturation with a cyclo-propane motif is a common strategy in bacteria to protect membranes under adverse conditions. In this study, the effect of cyclopropanation on properties of ionic liquids was investigated. It was found that incorporating cyclopropyl moieties effectively decreases the melting points of these materials and enhances fluidity.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Taoguang Qu, Kevin N. West, Paul A. Rupar
Summary: Poly(ester amide)s (PEAs) with various side chains were synthesized by modifying PA-1. The solubility of PEAs depends on the polarity of the side chains, and the thermal behavior of PEAs is influenced by the introduced functional groups. This study enables the facile synthesis of functional PEAs with promising applications.
Article
Chemistry, Multidisciplinary
Santosh R. P. Bandlamudi, Jimmie L. McGehee, Albaraa D. Mando, Mohammad Soltani, C. Heath Turner, James H. Davis, Kevin N. West, Brooks D. Rabideau
Summary: The study explores the behavior of hydrocarbons when mixed with a thermally robust ionic liquid, showing that hydrocarbons with a predominant aromatic character readily mix with the IL, while those with a predominant aliphatic character are largely immiscible. Molecular dynamics simulations reveal the expansion of the IL network and the nature of the ion-rich phase, shedding light on the interactions between hydrocarbons and the IL.
Article
Chemistry, Multidisciplinary
Mikayla G. Walters, Albaraa D. Mando, W. Matthew Reichert, Christy W. West, Kevin N. West, Brooks D. Rabideau
Meeting Abstract
Chemistry, Multidisciplinary
Benjamin Siu, Cody Cassity, Mohammad Soltani, Matt Vo, James Davis, Kevin West
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Article
Chemistry, Physical
Brooks D. Rabideau, Mohammad Soltani, Rome A. Parker, Benjamin Siu, E. Alan Salter, Andrzej Wierzbicki, Kevin N. West, James H. Davis
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
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)