Article
Chemistry, Physical
Qingshan Liu, Liansheng Ma, Shuyi Wang, Zhiying Ni, Xiaoyi Fu, Jian Wang, Qige Zheng
Summary: The density and viscosity of systems composed of different imidazolium type ionic liquids and propylene carbonate were studied, with calculations of various parameters to analyze system properties. The influence of introducing different functional groups on system properties was investigated.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Nanoscience & Nanotechnology
Deok-Yong Cho, Ki-jeong Kim, Kug-Seung Lee, Michael Lubben, Shaochuan Chen, Ilia Valov
Summary: Thin layers inserted between a metal electrode and a solid electrolyte can modify the transport of mass and charge at interfaces and affect electrode reactions. Incorporating C films in functional materials can alter the host's chemical properties and device functionalities. Using X-ray spectroscopies, it was found that inserting graphene or ultrathin amorphous C layers in a Ta2O5/Ta system can tune its chemical and electronic structures, thereby fundamentally changing the resistive switching functionalities.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Engineering, Environmental
Muhammad Nisar, Franciele L. Bernard, Evandro Duarte, V. V. Chaban, Sandra Einloft
Summary: The study developed an effective solvent-free CO2 adsorbent by encapsulating IL with metal oxides in polysulfone microcapsules, leading to enhanced CO2 sorption capacity for industrial applications.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Mauricio Lopez Luna, Janis Timoshenko, David Kordus, Clara Rettenmaier, See Wee Chee, Adam S. Hoffman, Simon R. Bare, Shamil Shaikhutdinov, Beatriz Roldan Cuenya
Summary: The study investigates the structural and chemical evolution of oxide-supported iron nanoparticles during the activation stages and the CO2 hydrogenation reaction, revealing the preferential formation of iron surface oxides under reaction conditions. The results highlight the important role played by the oxide support in the final structure and composition of nanosized catalysts.
Article
Materials Science, Ceramics
Ayano Nakamoto, Kohta Nambu, Hiroshi Masuda, Hidehiro Yoshida
Summary: Undoped Y2O3 polycrystals were densified by flash sintering under DC or AC electric field with varying holding times up to 60 min. The chemical bonding state and crystal structure were investigated by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD), respectively. DC flash sintering with longer holding times (>= 30 min) resulted in blackening in cathodic regions, indicating the electrode-dependent introduction of neutral oxygen vacancies. The Y 3d3/2 and Y 3d5/2 binding energies decreased with increasing holding time in both DC- and AC-flash-sintered Y2O3 specimens, regardless of polarity, indicating that positively charged oxygen vacancies were introduced by the flash sintering in an electrode-independent manner, even under DC electric field. XRD analysis revealed short-range structural fluctuations in flash-sintered specimens with longer holding times. These electrode-dependent and independent point defect generations under electric fields may be related to the enhanced atomic diffusion during flash sintering.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Xin He, Yangyan Gao, Yunlei Shi, Xiaowen Zhang, Zhiwu Liang, Riguang Zhang, Xingfei Song, Qinghua Lai, Hertanto Adidharma, Armistead G. Russell, Eric G. Eddings, Weiyang Fei, Fangqin Cheng, Shik Chi Edman Tsang, Jianji Wang, Maohong Fan
Summary: Ionic liquids serve as catalysts to accelerate both the sorption and desorption of carbon dioxide. By adding a small amount of the uniquely designed ionic liquid catalyst to monoethanolamine-based carbon dioxide capture, the desorption rate of carbon dioxide can be significantly increased, reducing energy consumption and avoiding secondary pollution.
Article
Polymer Science
Abrusci Concepcion, Amils Ricardo, Sanchez-Leon Enrique
Summary: In this study, a specific microorganism called Pantoea agglomerans uam8 was isolated from an ionic liquid and its characteristics were investigated. The results showed that osmolarity conditions had a significant impact on the growth, exopolysaccharide production, and biodegradation ability of the strain. Furthermore, the produced exopolysaccharide exhibited excellent emulsifying, antioxidant, and antimicrobial properties.
Article
Materials Science, Multidisciplinary
Rose J. Miller, Vanessa M. Smith, Stacy A. Love, Sarah M. Byron, David Salas-de la Cruz, Kevin M. Miller
Summary: By functionalizing cellulose with 1,2,3-triazolium groups, derivatives were obtained with observed T-g values inversely related to the size of the counteranions, indicating dependence on anion basicity and hydration for thermal and ionic conductivity properties.
ACS APPLIED POLYMER MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Shannon J. Lee, Juyeon Won, Lin-Lin Wang, Dapeng Jing, Colin P. Harmer, Justin Mark, Georgiy Akopov, Kirill Kovnir
Summary: The novel isostructural equiatomic gold tetrel pnictides exhibit a noncentrosymmetric structure with covalent bonding, functioning as n-type narrow-gap semiconductors or semimetals with temperature-independent resistivities and low thermal conductivities. The combination of semimetallic properties with tunable NCS structure provides opportunities for material development based on gold tetrel pnictides.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Nanoscience & Nanotechnology
Xiaxia Liao, Severin N. Habisreutinger, Sven Wiesner, Golnaz Sadoughi, Daniel Abou-Ras, Marc A. Gluba, Regan G. Wilks, Roberto Felix, Marin Rusu, Robin J. Nicholas, Henry J. Snaith, Marcus Baer
Summary: The study reveals significant chemical interaction at the MoO3/MAPbI(3-x)Cl(x) interface, leading to decomposition of the perovskite and accumulation of PbI2 on the MoO3 cover layer. New compounds such as PbMoO4, PbN2O2, and PbO are formed as a result of the decomposition, suggesting that the direct MoO3/MAPbI(3-x)Cl(x) interface may be inherently unstable. These findings help explain the low power conversion efficiencies of metal halide perovskite solar cells using MoO3 as a hole-transport material with direct contact to perovskite.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Materials Science, Multidisciplinary
Kevin J. Pastoor, Michael J. Dzara, Svitlana Pylypenko, Jenifer C. Shafer, Mark P. Jensen
Summary: Uranium tetrafluoride (UF4) undergoes chemical speciation changes and forms hydrates when aged under high humidity conditions, indicating different hydration states depending on the temperature and relative humidity. These findings suggest that the presence of UF4 hydrate in UF4 materials may indicate storage under high humidity conditions.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Annaelle Demaude, Kitty Baert, David Petitjean, Juliette Zveny, Erik Goormaghtigh, Tom Hauffman, Michael J. Gordon, Francois Reniers
Summary: In this work, immobilization of unwanted filaments in dielectric barrier discharges (DBD) is achieved for one-step deposition of patterned coatings. By texturing one of the dielectric surfaces, chemical and topographical contrasts at sub-millimeter scale are obtained. The influence of filaments on the deposition process is investigated.
Article
Chemistry, Physical
Li Yang, Abhishek Lahiri, Fabien Krebs, Frank Endres
Summary: It was found that different electrolytes used in depositing PPy lead to different zinc storage mechanisms and initial capacities, with PPy deposited from ionic liquid showing higher cycling stability.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Fumiya Nemoto, Shun-ya Nakamura, Hiroshi Abe
Summary: The research showed that the surface tension of mixtures steeply decreased upon mixing iodides, polyiodides localized around the liquid-vapor interface independently of the alkyl chain number, and longer alkyl chains effectively hindered the surface.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Rachel Pflieger, Manuel Lejeune, Micheline Draye
Summary: This study investigates the sonochemical degradation of [BEPip][NTf2] ionic liquid and its correlation with sonoluminescence spectra and viscosity, as well as effects of water presence. The results show that the initial evolution of sonoluminescence intensity is closely related to liquid viscosity. Furthermore, the presence of water enhances sonoluminescence and accelerates the degradation process.
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)