Article
Multidisciplinary Sciences
Deepak Ojha, Thomas D. Kuehne
Summary: In this study, a simple recipe based on narrowband IR pump and broadband vSFG probe technique was used to computationally obtain the two-dimensional vSFG spectrum of water molecules at the air-water interface. The study demonstrated that the vibrational spectral dynamics of the free OH bond is faster than that of the bonded OH mode at the interface.
SCIENTIFIC REPORTS
(2021)
Article
Instruments & Instrumentation
Shilpi Chaudhary, Harsharan Kaur, Harpreet Kaur, Bhawna Rana, Deepak Tomar, Kailash C. Jena
Summary: In this study, the authors investigated the adsorption process of BHb protein molecules at the air-water interface using SFG vibrational spectroscopy. They found that the surface coverage of BHb molecules significantly influences the arrangement of protein molecules at the interface and studied the kinetics of protein denaturation process and its impact on the hydrogen-bonding network of interfacial water molecules. The study also revealed the occurrence of strongly hydrogen-bonded water molecules at the interface following the protein denaturation process.
APPLIED SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Thao T. P. Nguyen, Foad Raji, Cuong V. Nguyen, Ngoc N. Nguyen, Anh V. Nguyen
Summary: Surfactants play a crucial role in controlling the macroscopic properties of the air-water interface. This study investigates the connection between the molecular structure of two ionic surfactants (DTAB and SDS) and their effects on the interfacial water molecules. The findings reveal that the different interactions and reorientations of water molecules result in variations in interfacial layer thickness, surface tension, and foam stability.
Article
Chemistry, Multidisciplinary
Chengcheng Zhang, Jinpeng Gao, Jeanne Hankett, Prabodh Varanasi, Charles O. Kerobo, Shouxun Zhao, Zhan Chen
Summary: The study highlights the significant impact of sizing solutions on the wettability and interfacial adhesion of composites. Surface-sensitive sum frequency generation (SFG) spectroscopy offers valuable insights into the complex structures of sizing solutions at solid-liquid interfaces, enabling a more accurate understanding of the structure-wettability relationship. This detailed understanding of interactions between sizing agents and substrates promotes informed and optimized selections of sizing formulations.
Article
Polymer Science
Jiang Du, Chuanzhi Pu, Xianyu Sun, Qi Wang, Hongqing Niu, Dezhen Wu
Summary: In this study, high-performance polyimide (PI) fibers with excellent interfacial adhesion and mechanical properties were successfully developed by introducing 4,4'-diamino-(1,1'-biphenyl)-3,3'-diol (HAB) diamine into the molecular chains. The fibers exhibited an interfacial shear strength (IFSS) value of 46.33 MPa, tensile strength of 2.62 GPa, and modulus of 100.15 GPa. The introduction of HAB moiety contributed to the reduction of microvoid radii in the fibers, leading to significant enhancement in their mechanical properties. The surface activity of the synthetic fibers was confirmed by X-ray photoelectron spectroscopy and static contact angle measurements, and the enhanced interfacial adhesion in PI fiber/epoxy resin composites was demonstrated. This study provides an effective strategy to address the long-standing challenges in the PI fiber-reinforced polymer matrix composites industry.
Article
Chemistry, Multidisciplinary
Abhay Vincent, Marie Pervier, Hugo Pervier, Devaiah Nalianda
Summary: Understanding the physics of ice adhesion at the ice-substrate interface is crucial for developing efficient ice protection systems. This article presents a molecular dynamics approach to model and analyze the tensile and shear adhesion strengths of ice on metallic substrates on both the nanoscale and macroscale. The simulation results reveal differences between nanoscale and macroscopic interpretations of ice adhesion.
Article
Chemistry, Physical
Zening Liu, Lu Lin, Tianyu Li, Jacob Kinnun, Kunlun Hong, Ying-Zhong Ma, Robert L. Sacci, John Katsaras, Jan-Michael Carrillo, Benjamin Doughty, Charles Patrick Collier
Summary: Bioinspired membrane molecules with improved physical properties and enhanced stability can serve as functional models for conventional lipid or amphiphilic species. The self-assembly of amphiphilic, charged oligodimethylsiloxane imidazolium cation at the air-aqueous interface is elucidated using Langmuir trough methods and surface-specific vibrational sum-frequency generation spectroscopy. A compression-induced desolvation step is found to precede phase transitions, and atomistic molecular dynamics simulations support the experimental data. The understanding of hydrophobic tail conformations offers new strategies for interface design in developing soft-matter electronics and low-dimensional materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Construction & Building Technology
Dongzhi Guan, Zhanhui Peng, Zixuan Chen, Jiabin Liu
Summary: In this paper, the shear performance of ECC-NC composite structures was investigated through bi-surface shear tests. The results showed a strong correlation between the shear strength of the interface and the strength of the NC, and the casting sequence had a significant effect on the performance.
CASE STUDIES IN CONSTRUCTION MATERIALS
(2023)
Article
Optics
Baojuan Yang, Yanle Li, Fangyi Li, Xiaoxia Qi, Xingfu Sun, Weiqiang Cui, Jiyu Du
Summary: The study proposes a composite texturing surface pretreatment method to improve the bonding performance of hydroxyapatite (HA) coatings. The results show that coatings on composite texturing surfaces have higher tensile and shear strengths compared to coatings on grit blasted surfaces. This is attributed to the increased surface roughness, enlarged interfacial contact area, and weakened stress concentration effect of the composite texturing surface.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Andrew Horvath, Radhika S. Anaredy, Scott K. Shaw
Summary: This study reports the interfacial structures and chemical environments of ionic liquid films under different dilution and film thickness conditions. The film thicknesses are correlated with the trends in infrared intensity profiles across film thicknesses and IL-solvent dilution conditions. Neat IL and IL/MeCN films deviate significantly from predicted behaviors, suggesting enhanced intermolecular interactions or other non-Newtonian behaviors. The hydrogen bonding network of water-diluted ionic liquids is implicated in the agreement of this system with the Landau-Levich model's thickness predictions.
Article
Chemistry, Multidisciplinary
Yen-Ting Lin, Michele Fromel, Yiwen Guo, Rachel Guest, Juseok Choi, Yu-Sheng Li, Huseyin Kaya, Christian W. Pester, Seong H. Kim
Summary: Surface-tethered polymer brushes exhibit conformational changes in response to environmental conditions, such as humidity and exposure to water. These brushes can modify surface properties and exhibit stimuli-responsiveness. The degree of water uptake and chain conformation depend on the nature of the charged hydrophilic moieties.
Article
Physics, Applied
Yuka Isaka, Takayuki Miyamae
Summary: The electrostatic charging states of insulating polymer surfaces were analyzed using sum-frequency generation (SFG) spectroscopy. For negatively charged polypropylene, the SFG peak amplitudes increased significantly with increasing surface potential, indicating a direct influence of the electrostatic charges on the SFG signal intensities. In organic thin films stacked on top of PMMA, an increase in the SFG signal of buried PMMA was observed, indicating the extension of the electrostatic field into the bulk direction. Additionally, the visualization of charge location and distribution was demonstrated using SFG intensity variations.
APPLIED PHYSICS EXPRESS
(2023)
Article
Chemistry, Physical
S. A. Shah, S. Baldelli
Summary: The study of surfaces provides unique information on chemical and physical properties, leading to the development of specialized tools such as SFG spectroscopy. However, the resolution of SFG imaging is often limited to micrometer length scales, making it unable to capture sub-micron features. This article introduces a technique using ground state depletion to achieve super-resolution, with proof-of-concept results showing a 3-fold improvement in resolution.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Materials Science, Ceramics
Yen-Ting Lin, Nicholas J. Smith, Joy Banerjee, Gabriel Agnello, Robert G. Manley, Wanda J. Walczak, Seong H. Kim
Summary: The study investigated the adsorption isotherm of water on silica and Ca-BAS glass surfaces as a function of relative humidity using FTIR spectroscopy. Results showed that differences in water layer thickness and hydrogen bonding interactions between the two surfaces vary with surface chemistry and humidity levels.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Physical
Shyam Parshotam, Wentong Zhang, Benjamin Rehl, Akemi Darlington, Md. Delwar H. Sikder, Alex Brown, Julianne M. Gibbs
Summary: Isolating the contribution of silica in second harmonic generation (SHG) studies at the silica/water interface remains a challenge. Here, we compare SHG intensities with zeta potentials and vibrational sum frequency generation (SFG) intensities to understand the silica contribution in SHG measurements. The results suggest a significant pH-dependent increase in the silica contribution, which can interfere constructively or destructively with water. The study also demonstrates the direct sensitivity of SHG to surface charging, indicating its potential as a powerful tool in studying other mineral oxides.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Zhaoyang Liu, Yunbin Hu, Wenhao Zheng, Can Wang, Walid Baaziz, Fanny Richard, Ovidiu Ersen, Mischa Bonn, Hai Wang, Akimitsu Narita, Artur Ciesielski, Klaus Muellen, Paolo Samori
Summary: The precise synthesis of graphene nanoribbons (GNRs) with controlled width and edge structures is beneficial for overcoming the limitations of graphene, and GNRs with open-edge structures allow faster ion diffusion, showing great potential for energy storage systems. However, current solution-synthesized GNRs suffer from aggregation, which restricts their applications. Therefore, a facile and scalable approach is needed to exfoliate GNRs from aggregates. Here, a high-shear-mixing approach is demonstrated to untie GNR bundles into individual nanoribbons.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Cheng Zeng, Wenhao Zheng, Hong Xu, Silvio Osella, Wei Ma, Hai Wang, Zijie Qiu, Ken-ichi Otake, Wencai Ren, Huiming Cheng, Klaus Muellen, Mischa Bonn, Cheng Gu, Yuguang Ma
Summary: Electrochemical deposition is an efficient technique for preparing conjugated polymer films on electrodes, allowing control over film thickness, crystal size, and crystal orientation. The films produced by this method have a unique crystal structure and exhibit exceptional carrier and exciton migration.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Swen Zerebecki, Soma Salamon, Joachim Landers, Yuke Yang, Yujin Tong, Eko Budiyanto, Daniel Waffel, Maik Dreyer, Sascha Saddeler, Tim Kox, Stephane Kenmoe, Eckhard Spohr, Stephan Schulz, Malte Behrens, Martin Muhler, Harun Tueysuez, R. Kramer Campen, Heiko Wende, Sven Reichenberger, Stephan Barcikowski
Summary: This study investigates the effects of cation occupancy on oxidation catalysis by utilizing pulsed laser defect engineering. By gradually altering the cation occupancy and studying its impact on the oxidation reaction of cinnamyl alcohol, the importance of octahedral Co3+ sites and the feasibility of pulsed laser processing in changing cation occupancy and crystallographic defect density are demonstrated.
Article
Chemistry, Physical
Max Lukas, Ellen H. G. Backus, Mischa Bonn, Maksim Grechko
Summary: SFG vibrational spectroscopy is a powerful technique to study interfaces. However, implementing this technique is challenging. In this study, a collinear PR-SFG setup using a displaced Sagnac interferometer is developed, which allows independent control of time delay and intensity and provides long-time phase stabilization for the measured signal.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Max Lukas, Ralph Schwidetzky, Rosemary J. Eufemio, Mischa Bonn, Konrad Meister
Summary: The exceptional ice nucleation activity of bacterial ice nucleators is highlighted in this perspective, emphasizing the importance of functional aggregation of ice-nucleating proteins (INPs) anchored to the outer bacterial cell membrane. It is crucial to consider the role of the bacterial cell membrane and environmental conditions in facilitating precise functional aggregation of INPs, and interdisciplinary approaches combining various tools are needed to study changes at the protein level.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Yanhua Yue, Giacomo Melani, Harald Kirsch, Alexander Paarmann, Peter Saalfrank, R. Kramer Campen, Yujin Tong
Summary: Different terminations of the alpha-Al2O3(0001) surface have been observed under different experimental conditions, leading to discrepancies in prior work. By studying the surface phonon modes, this study provides a novel probe of the interfacial hydrogen bonding structure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Hao Lu, Luca Bellucci, Shumei Sun, Daizong Qi, Marta Rosa, Ruediger Berger, Stefano Corni, Mischa Bonn
Summary: The assembly mechanism of Aβ peptides at hydrophobic interfaces depends on the pH, with acidic conditions promoting the formation of extended β-strand fibrils and facilitating macroscopic assembly.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Jing Chen, Yongkang Wang, Benjamin Leibauer, Takakazu Seki, Konrad Meister, Yuki Nagata, Mischa Bonn
Summary: This study combines the ice nucleation tuning capability of polyelectrolytes with mussel-inspired adhesives to achieve robust surface functionalization with controlled heterogeneous ice nucleation (HIN). By integrating surface-binding catechol derivatives into different polyelectrolytes, the ice nucleation process is tuned, and the mechanism of interaction between water molecules and the functionalized surface is revealed using interfacial molecular spectroscopy.
Article
Chemistry, Multidisciplinary
Johannes Hunger, Jan Schaefer, Patrick Ober, Takakazu Seki, Yongkang Wang, Leon Praedel, Yuki Nagata, Mischa Bonn, Douwe Jan Bonthuis, Ellen H. G. Backus
Summary: Understanding the collective behavior of ions at charged surfaces is crucial for geological and electrochemical processes. In this study, sum-frequency generation (SFG) spectroscopy was used to investigate the symmetry-breaking of water molecules at a charged silica surface in contact with different alkaline metal chloride solutions. The results demonstrate that the water response varies with the cation, with LiCl showing a significantly enhanced SFG response compared to CsCl. Further analysis indicates that the effect of different salts on the optical response is indirectly mediated by the reorganization of interfacial water.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Kinran Lau, Felix Niemann, Kaltum Abdiaziz, Markus Heidelmann, Yuke Yang, Yujin Tong, Michael Fechtelkord, Torsten C. Schmidt, Alexander Schnegg, R. Kramer Campen, Baoxiang Peng, Martin Muhler, Sven Reichenberger, Stephan Barcikowski
Summary: Both oxygen vacancies and surface hydroxyls have significant impacts on catalysis, but their relationship is often overlooked. In this study, TiO2 (rutile and P25) samples with increasing oxygen deficiency and Ti3+ concentration are prepared using pulsed laser defect engineering in liquid (PUDEL), and the acidic and basic surface hydroxyls are selectively quantified by fluoride substitution. The results show that near-surface Ti3+ is closely related to surface bridging OH, and the former may increase the electron density of the bridging oxygen to form more of the latter. The method of fluoride substitution is expected to provide a better characterization of surface hydroxyls and their correlation with defects in metal oxides.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Pankaj Seliya, Mischa Bonn, Maksim Grechko
Summary: This study focuses on the interaction between quantum-mechanical systems and fluctuating thermal environments, providing insights into their coupling through a combined experimental and theoretical approach. The experimental part involves spectroscopy measurements to directly observe the coupling between quantum oscillators and low-frequency modes. The theoretical part introduces a mixed quantum-classical formalism to describe the sample response. This approach enables the quantitative and mode-specific analysis of coupled quantum and classical dynamics in complex chemical systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Tao Yang, Erik Pollmann, Stephan Sleziona, Eckart Hasselbrink, Peter Kratzer, Marika Schleberger, R. Kramer Campen, Yujin Tong
Summary: Most TMDCs are stable and have a combination of electronic, linear, and NLO characteristics, which makes them attractive for optoelectronic and (photo)electrocatalytic applications. While the interaction between TMDCs and dielectric substrates has been widely studied, the interaction between TMDCs and metals has received less attention. This study investigates the interaction between monolayer MoS2 and gold, revealing a strong interaction and substrate-induced changes in the monolayer's electronic structure.
Article
Chemistry, Physical
Yongkang Wang, Yuki Nagata, Mischa Bonn
Summary: Graphene, as a transparent two-dimensional conductive electrode, has brought new perspectives to electrochemical systems. The substrate plays a crucial role in determining the water organization and wetting behavior of graphene. Surface-specific spectroscopy study reveals that the charging of graphene is decoupled from the charging of its substrate.
FARADAY DISCUSSIONS
(2023)
Article
Engineering, Electrical & Electronic
Xuan Zhou, Fan Shi, Jiafeng Lu, Mengjun Xu, Mengdie Hou, Mischa Bonn, Xiaomin Liu, Xianglong Zeng
Summary: This paper proposes a method for producing femtosecond visible doughnut beams by integrating nonlinear frequency conversion and in-fiber mode conversion techniques. This method allows for dynamic manipulation of vector visible beams in optical fibers.
JOURNAL OF LIGHTWAVE TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Gabriele C. Sosso, Prerna Sudera, Anna T. Backes, Thomas F. Whale, Janine Froehlich-Nowoisky, Mischa Bonn, Angelos Michaelides, Ellen H. G. Backus
Summary: By conducting experiments and simulations, this study systematically investigates the ice-nucleating ability of cholesterol in both crystalline and disordered self-assembled monolayers. A sweet spot in terms of the surface coverage of the monolayers is identified, where cholesterol enhances the structural order of interfacial water molecules and maximizes its ability to nucleate ice.
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
