Article
Chemistry, Physical
Hua Li, Jianan Wang, Gregory G. Warr, Rob Atkin
Summary: The dynamics of self-assembled liquid nanostructures of ionic liquids near a mica surface were determined using video-rate atomic force microscopy (AFM) data. The AFM videos revealed that the nanostructures near the surface diffused much slower than individual ions in the bulk. This finding has important implications for processes involving concentrated electrolyte interfacial dynamics.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Review
Chemistry, Multidisciplinary
Olga Lebedeva, Dmitry Kultin, Leonid Kustov
Summary: This review explores the characteristics of electrochemical synthesis of nanostructures in ionic liquids, emphasizing the production of various nanomaterials and nanoscale polymer films. It highlights the potential application of ILs as an electrochemical medium and the relative simplicity of experimental procedures.
Article
Chemistry, Physical
Kun Zhang, Guohui Zhou, Timing Fang, Zhezheng Ding, Xiaomin Liu
Summary: The addition of solvents to ionic liquids (ILs) and elongating the length of the nonpolar chains on their ions can suppress the overscreening effect near an electrode interface. Through molecular dynamics (MD) simulations, researchers can model and analyze these systems to understand the observed phenomena. The study findings reveal that solvents or nonpolar chains contribute to the formation of nonpolar domains, and the microscopic mechanisms and influences of these domains are identified.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Jiedu Wu, Shuai Liu, Zhuo Tan, Yuting Guo, Jianzhang Zhou, Bingwei Mao, Jiawei Yan
Summary: This study investigates the effects of hydrogen bond donor (HBD) molecules ethylene glycol and lactic acid (LA) on electrochemical interfaces in Choline chloride (ChCl)-based deep eutectic solvents (DES). Results show that LA can slow down the anodic dissolution of Au and stabilize the passivation film in ChCl:LA, as well as lead to additional current peaks in comparison to ethylene glycol. The findings provide insights into the significant impact of HBD molecules on the anodic dissolution and passivation of the Au electrode in DESs.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Electrochemistry
Federico Raffone, Andrea Lamberti, Giancarlo Cicero
Summary: Ionic liquids play a crucial role in various applications involving carbon-based electrodes. Understanding the atomistic features of the electrode-IL interface is important for optimizing device performance. Molecular dynamics simulations reveal that the interface potential can be inferred by examining the molecular structure of the IL.
ELECTROCHIMICA ACTA
(2023)
Article
Engineering, Chemical
Chenlu Wang, Guangyong Liu, Renqiang Cao, Yu Xia, Yanlei Wang, Yi Nie, Chao Yang, Hongyan He
Summary: This study investigates the wetting processes of Li+-doped ionic liquids (ILs) on a TiO2-B(10 0) surface using molecular dynamics simulation. The results show that the doping of Li+ changes the orientation of ILs, weakens the ILs-substrate interaction, and significantly slows down the wetting process. As the Li+ concentration increases, the contact angle increases, indicating a transition from hydrophilic to hydrophobic behavior. On the other hand, heating reduces the contact angle. These results demonstrate that the strong adsorption of Li+ at the interface dominates the wetting process of Li+-doped ILs.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Chemistry, Physical
Mingren Liu, Yong-Lei Wang, Konstantin Schutjajew, Liyuan Chai, Martin Oschatz
Summary: This study reports a unique interfacial phenomenon resulting from the presence of carbon dioxide loaded in 1-Ethyl-3-methylimidazoliumtetrafluorborate electrolyte that coupled to IL ions and nitrogen-doped carbonaceous electrode simultaneously. The adsorbed CO2 molecule polarizes and mitigates the electrostatic repulsion among like-charged ions near the electrified interface, leading to an ion bridge effect with increased interfacial ionic density and significantly enhanced charge storage capability. The unpolarized CO2 possessing a large quadrupole moment further reduces ion coupling, resulting in higher conductivity of the bulk IL and improved rate capability of the supercapacitor.
ADVANCED ENERGY MATERIALS
(2023)
Article
Electrochemistry
Jiale Ma, Songtao Zhao, Zhenyu Li
Summary: In this study, using density functional theory calculations, the researchers successfully predicted the differential capacitance curve in ionic liquid based electrical double layer and discovered a new type of ionic liquid crowding state. These findings provide new insights into the understanding of ionic liquid at electrified interfaces.
ELECTROCHIMICA ACTA
(2022)
Article
Biochemistry & Molecular Biology
Meichen Wang, Yanlei Wang, Minjie Li, Sufan Wang, Hongyan He
Summary: This study investigates the impact of interlayer spacing of the MoS2 electrode on the interfacial structure and electrical properties of sodium-ionic liquids electrolytes through molecular dynamics simulations, revealing the positive and negative features of Mo- and S-terminal edges, differences in coordination numbers of sodium ions at electrode surfaces, and variations in charge screening factors with interlayer spacing and surface charge density.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Physical
Chunlu Li, Ao Li, Xingchang Cha, Qingxiang Liu, Jun Gao, Dongmei Xu, Yixin Ma, Lianzheng Zhang
Summary: Ionic liquids have shown promise as solvents in the separation field due to their functional groups, with research focusing on the phenolate anion's effects on extracting heterocyclic N-compounds like pyrrole. The study evaluated the effectiveness of a phenolate-based ionic liquid in separating pyrrole through polarity analysis, showcasing the interaction mechanisms and selectivity for pyrrole in liquid-liquid phase behavior studies.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Chemical
Chengmin Gui, Zhiwei Li, Zhigang Lei, Yichun Dong
Summary: This study introduced a combinatorial screening approach combining quantum chemical calculation and molecular dynamics simulation for selecting ionic liquid extractants to remove methanol from methylal. By calculating thermodynamic properties and evaluating separation performance, the best ionic liquid extractant was determined. The approach showed consistency between simulations and experiments, highlighting its usefulness for screening ILs for specific separation tasks.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Hua Li, Jianan Wang, Gregory G. Warr, Rob Atkin
Summary: This study uses video-rate AFM to investigate the dynamics of near-surface nanostructures of an ionic liquid on a graphite electrode in real-time. The diffusion coefficient of the nanostructures is influenced by both the potential and the presence of water. The results are important for various applications including electrochemical devices, catalysts, and lubricants.
Article
Chemistry, Multidisciplinary
Jocasta Avila, Chiara Corsini, Cintia M. Correa, Martin Rosenthal, Agilio Padua, Margarida Costa Gomes
Summary: This Perspective highlights the pathways to prepare porous ionic liquids using easily accessible materials for reduced environmental impact. The study demonstrates that suspensions of porous solids are stable in eutectic mixtures, which indicates their potential in preparing porous ionic liquids. Porous ionic liquids maintain the wide electrochemical window observed in their precursor pure ionic liquids, making them suitable for green electrochemical reactions, especially those involving gases with enhanced solubility in the porous suspensions. Furthermore, their capacity as gas-rich media suggests potential sustainable biomedical and pharmaceutical applications, provided that non-toxic, biocompatible ionic liquids and porous solids are utilized.
Article
Chemistry, Multidisciplinary
Takamasa Sagara, Hironobu Tahara
Summary: Viologen is an attractive and easy-to-use organic redox active group in functional molecular assemblies, playing crucial roles in electron transfer and as a building block of supramolecules. It exhibits electrochemically reversible redox activity, stability, strong blue color, and a tendency to dimerize. The use of Viologen has shown potentials in powering small molecule movements, coloring materials, and inducing mechanical movements and phase transformations.
Article
Energy & Fuels
Zenglin Jiang, Xiaohong Wang, Hao Deng, Jia Zhao, Yugang Li
Summary: This study selected 16 environmentally friendly and easily degradable ionic liquids for fuel desulfurization research. Through molecular mechanism studies and experiments, it was found that [C2COOCH3ImC6H13][NTF2] ILs exhibited high desulfurization efficiency.
JOURNAL OF THE ENERGY INSTITUTE
(2024)
Review
Chemistry, Multidisciplinary
Zhanghao Gu, Jiayi Wang, Yu Fu, Hao Pan, Hongyan He, Qi Gan, Changsheng Liu
Summary: Articular cartilage defects cause disability and global socioeconomic loss. However, the limited regeneration ability of cartilage tissue due to its avascular and nearly acellular nature poses challenges for repair and regeneration. Smart biomaterials can regulate cell behavior, provide a favorable microenvironment and induce articular cartilage repair and regeneration. The use of smart drug release systems and smart scaffolds in these processes is discussed, as well as the importance of advanced manufacturing techniques and clinical translation of smart biomaterials.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Chemical
Kuntong Song, Yi Li, Feng Huo, Junhong Liu, Wenxia Hou, Nan Wang, Qing Zhou, Junli Xu, Xingmei Lu
Summary: In the conventional pyrolysis process of PET, excessive pyrolysis leads to the formation of char due to dehydration mechanism. Water is considered as an auxiliary agent to inhibit excessive pyrolysis. The steam-assisted pyrolysis of PET for the production of TPA is an effective method for closed-loop recycling. The mechanism involves a unique reaction path with intermolecular hydrogen transfer between water and intermediate molecules, which reduces reaction intensity and inhibits char formation. This discovery provides a theoretical basis for optimizing the pyrolysis process of PET and is essential for industrialization of TPA preparation.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Environmental
Yanlei Wang, Ju Liu, Xiaoqing Yuan, Mi Wang, Yi Nie, Suojiang Zhang, Hongyan He
Summary: This Perspective discusses the structures of ionic liquids (ILs) and the aggregations that can significantly alter their micro-environment and impact their properties and functions. The mesoscale structures of IL aggregation in pure ILs and ILs-solvent mixtures are analyzed based on interacting forces and thermodynamics. The potential applications of IL aggregation in various scientific and engineering fields are explored, such as biomass conversion, smart materials, and life medicine. The challenges and opportunities in the field of IL aggregation, including direct observation techniques, large-scale simulations, theoretical forming mechanisms, and coupling mechanisms with solid interfaces, are also discussed. These new perspectives shed light on the rational design of ILs and generate research interest in ILs as a green medium in chemical engineering.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Yu Chen, Jiayuan Yu, Yiqian Yang, Feng Huo, Chunshan Li
Summary: A novel microreaction system catalyzed by ionic liquids (ILs) is proposed for the synthesis of propylene carbonate (PC) from CO2 and propylene oxide (PO). The reaction conditions were optimized, and the kinetics of the reaction were evaluated, providing new opportunities for CO2 utilization and achieving carbon neutrality through enhanced gas-liquid reactions.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Applied
Zhiyong Li, Yuan He, Hongyan He, Weizhe Zhou, Mengru Li, Aiming Lu, Tuanjie Che, Songdong Shen
Summary: In this study, Ulva prolifera, an edible alga, was used to prepare angiotensin-I converting enzyme (ACE) inhibitory peptide. The highest ACE inhibitory activity was obtained from the hydrolysate of algae protein, which was processed using various methods and identified as the peptide DIGGL. DIGGL exhibited non-competitive inhibition against ACE and mainly achieved this effect through three conventional hydrogen bonds. It also showed the ability to activate endothelial nitric oxide synthase and decrease endothelin-1 secretion in human umbilical vein endothelial cells. Moreover, DIGGL promoted splenocyte proliferation and remained active during gastrointestinal protease digestion.
Article
Chemistry, Inorganic & Nuclear
Le Zhang, Feng Huo, Anqi Wang, Shaohua Chai, Jian Guan, Guijun Fan, Wuxinchen Yang, Guojun Ma, Ning Han, Yunfa Chen
Summary: Currently, the active sites of cobalt (Co) cations in different coordination structures remain elusive and challenging, despite the potential of Co-based oxides in catalytic ozone elimination. In this study, controllable synthesis of different Co-based oxides were achieved and their valences and coordinations were verified. The ozone decomposition performances revealed that Co-Oh(3+) and Co-Oh(2+) in octahedral coordination were superior to Co-Td(2+) in tetrahedral coordination. Notably, MgCo with octahedral coordination exhibited the highest decomposition efficiency and remained stable after long-term running. The high activity of MgCo can be attributed to the d-orbital splitting, facilitating electron transfer in ozone decomposition reactions.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Li Cui, Yuheng Fan, Jin Kang, Caixia Yin, Weilu Ding, Hongyan He, Fangqin Cheng
Summary: In this study, a novel class of functionalized ionic liquids with grafted crown ether-moieties (CE-FILs) were reported for the efficient separation of Li-6 and Li-7. The enhanced distribution of Li+ was achieved by the synergistic effect of ion-dipole interaction, hydrogen bonding, and coordination interaction. The CE-FILs pave a new way for Li isotopes separation.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Shuting Xu, Yawei Liu, Xuefu Li, Bowen Yue, Feng Huo, Hongyan He, Suojiang Zhang
Summary: Molecular dynamic simulations were conducted to investigate the relationship between the microscopic structures changed by water and the ionic diffusivity in aqueous mixtures of imidazolium ionic liquids (ILs). Two distinct regimes of ionic diffusivity were identified with increasing water concentrations, which are directly correlated to the ionic association. The study also revealed two general relationships between ionic diffusivity and ion-pair lifetimes, as well as short-ranged interactions between cations and anions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Lifei Liu, Jintong Li, Ting Song, Rong Wu, Weizhen Zhao, Feng Huo
Summary: Acrylate photoresists are synthesized and characterized for their thermal stability, film-forming capabilities, and patterning behavior. The correlation between lithography performance and polymerization conditions is established through analysis of molecular weight. Additionally, the baking temperature of lithography is optimized, leading to a line resolution of 0.1 μm under UV light and electron beam exposure. The synthesized photoresist exhibits dual-tone resist characteristics and the reaction mechanism of acid-catalyzed hydrolysis is proposed.
Article
Chemistry, Multidisciplinary
Kun Li, Yanlei Wang, Junfeng Lu, Weilu Ding, Feng Huo, Hongyan He, Suojiang Zhang
Summary: Electrocatalytic conversion of dinitrogen and carbon dioxide directly to urea by C-N coupling is a promising eco-friendly alternative to the current ammonia-based synthetic route. This study investigates the catalytic performance of bimetallic catalysts anchored on N-doped graphene. A TiCo@NC catalyst is found to exhibit an ultra-low onset potential of 0.23 V, efficiently catalyzing the reaction. The results provide insights into C-N coupling in urea electrosynthesis and inspire rational catalyst design.
CELL REPORTS PHYSICAL SCIENCE
(2023)
Article
Engineering, Chemical
Jingyu Qin, Yanlei Wang, Feng Huo, Hongyan He
Summary: Understanding the interfacial structure and flow behavior of ionic liquids (ILs) confined in nano-channels is crucial for the design and application of IL-based chemical engineering devices. Molecular dynamics simulations reveal that the cations in crystalline silica (c-SiO2) exhibit a vertical conformation, while those in graphene-covered crystalline silica (g@c-SiO2) display a parallel conformation. The anions, on the other hand, are randomly distributed. The different cation conformations result in distinct ion diffusion and flow patterns, with the parallel conformation facilitating nanoflow in the g@c-SiO2 channels. These findings provide valuable insights into the molecular mechanism of nanoflow and inform the rational design of IL-based devices and chemical engineering processes.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Wei-Lu Ding, Junwu Chen, Yumiao Lu, Guliang Liu, Bobo Cao, Chenlu Wang, Guangyong Liu, Xing-Liang Peng, Hongyan He, Suojiang Zhang
Summary: In this study, a machine learning model targeting the electronic density of Z-bonds in ionic liquids (ILs) was successfully trained. The correlations between the Z-bond energy and the electrochemical properties of IL-based systems were investigated separately. This model provides an efficient way to predict the electronic density of Z-bonds in nanoscale systems and offers insights into the electrochemical properties of ILs.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Analytical
Hongyan He, Yanbo Yao, Tao Liu
Summary: Polymers and polymer composites are ideal for wearable and flexible humidity sensors due to their flexibility, low cost, and ease of processing. However, their long-term stability is a concern. In this study, chemically crosslinked TA-x-PEI based humidity sensors were fabricated through a simple spray coating process using the robust Michael addition reaction between PEI and TA. The combination of TA-x-PEI with PC-IDE allowed for the fabrication of high-performance flexible humidity sensors with fast response and recovery, low hysteresis, good long-term stability, and high sensitivity.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Radiology, Nuclear Medicine & Medical Imaging
Shufeng Wei, Zhao Wei, Zheng Wang, Huixian Wang, Qingyuan He, Hongyan He, Lei Li, Wenhui Yang
Summary: In this study, a lightweight permanent magnet was designed for a lowfield movable head imaging MRI system. By removing certain components and shortening the distance between the vertical yokes, the weight of the magnet was reduced. Additional magnetic poles were added to compensate for magnetic field deformation caused by the shorter distance between the yokes. The proposed permanent magnet achieved a center field of 0.19815 T, a homogeneity of 46 ppm over a 20 cm spherical imaging region, and a weight of 654 kg. Phantom and in vivo head imaging with acceptable results were obtained using the prototype MRI scanner.
MAGNETIC RESONANCE MATERIALS IN PHYSICS BIOLOGY AND MEDICINE
(2023)
