Article
Chemistry, Multidisciplinary
Yi Cui, Yang Sui, Peng Wei, Yinan Lv, Chuanbo Cong, Xiaoyu Meng, Hai-Mu Ye, Qiong Zhou
Summary: Research on rheological performance and mechanism of polymer nanocomposites (PNCs) mainly focuses on non-polar polymer matrices, but rarely on strongly polar ones. This paper investigates the influence of nanofillers on the rheological properties of poly (vinylidene difluoride) (PVDF). Through TEM, DLS, DMA, and DSC analysis, the effects of particle diameter and content on the microstructure, rheology, crystallization, and mechanical properties of PVDF/SiO2 were analyzed. The results demonstrate that nanoparticles can significantly reduce the entanglement degree and viscosity of PVDF (up to 76%), without affecting the hydrogen bonds of the matrix, explained by selective adsorption theory. Additionally, uniformly dispersed nanoparticles can promote the crystallization and mechanical properties of PVDF. Overall, the viscosity regulation mechanism of nanoparticles for non-polar polymers is also applicable to PVDF, which is of great value for exploring the rheological behavior of PNCs and guiding the process of polymers.
Article
Chemistry, Inorganic & Nuclear
Katharina Thum, Johannes Martin, Holger Elsen, Jonathan Eyselein, Lena Stiegler, Jens Langer, Sjoerd Harder
Summary: Lewis acidic (BDI)Ae(+) cations of the heavier metals Sr and Ba were obtained and can be used as precursors for Brønsted bases. DFT calculations showed negligible electron transfer from pyrene or toluene ligands to the Ae(2+) cation.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Materials Science, Composites
Wei Wu, Wanjing Zhao, Qijun Sun, Bin Yu, Xinmao Yin, Xianwu Cao, Yanhong Feng, Robert K. Y. Li, Jinping Qu
Summary: Dielectric polymer nanocomposites with high dielectric permittivity and low dielectric loss are crucial for energy storage applications. In this study, PVDF/MXene nanocomposites with enhanced dispersion and compatibility were successfully prepared. The addition of MXene@CTAB contributed to improved dielectric properties and potential applications in energy storage devices for electronics.
COMPOSITES COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Soulef Jellali, Hela Habli
Summary: This paper focuses on the study of molecules such as francium dimer and a comparative spectroscopic investigation of cationic systems Fr-(Ca+, Sr+, Ba+). Computational methods are used to determine relevant parameters and the accuracy and reliability of the results are discussed. The findings provide insights for future laser cooling applications.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Electrochemistry
Salvatore Luiso, Austin H. Williams, Michael J. Petrecca, Sangchul Roh, Orlin D. Velev, Peter S. Fedkiw
Summary: A new class of LIB separators made of PVDF-based soft dendritic colloids is introduced, showing high electrical conductivity and electrolyte uptake, which can enhance battery performance.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Engineering, Chemical
Beenish Imtiaz, Nick A. Shepelin, Peter C. Sherrell, Sandra E. Kentish, Amanda V. Ellis
Summary: A hybrid process was used to fabricate dehydrofluorinated PVDF microfiltration membranes, showing alkene moieties within the polymer structure and excellent stability in a caustic environment. The membranes had increased hydrophobicity but also higher equilibrium water content and porosity compared to traditional PVDF membranes, with a pure water flux similar to commercially available PVDF membranes.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Chemistry, Physical
Juan J. J. Aucar, Alejandro F. F. Maldonado, Juan I. I. Melo
Summary: In this work, relativistic corrections to the electric field gradient (EFG) are presented, including spin-dependent corrections for the first time. The results show that these new corrections significantly improve the performance of the existing method and are in close agreement with calculations at the four-component Dirac-Hartree-Fock (4c-DHF) level. The accuracy of the EFG values obtained with this new method allows for the analysis of the electronic origin of relativistic effects using well-known nonrelativistic operators.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Tong Li, Minghe Qu, Corey Carlos, Long Gu, Fei Jin, Tao Yuan, Xiaowei Wu, Jijun Xiao, Ting Wang, Wei Dong, Xudong Wang, Zhang-Qi Feng
Summary: The research introduces a new strategy for fabricating soft piezoelectric nanomaterials with excellent performance and stability. A highly sensitive all-fiber-based soft sensor has been successfully developed and demonstrated high accuracy and sensitivity for physiological mechanical stimulation in in vivo experiments.
ADVANCED MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Ying Liang, Shundong Guan, Chengzhou Xin, Kaihua Wen, Chuanjiao Xue, Hetian Chen, Sijie Liu, Xinbin Wu, Haocheng Yuan, Liangliang Li, Ce-Wen Nan
Summary: The molecular weight of PVDF has been found to have an impact on the electrochemical properties of solid-state electrolytes, with higher molecular weight resulting in better performance.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Di Yang, Chunyu Zhao, Ruqian Lian, Lin Yang, Yizhan Wang, Yu Gao, Xu Xiao, Yury Gogotsi, Xudong Wang, Gang Chen, Yingjin Wei
Summary: A method for achieving planar, dendrite-free Li metal growth on Ti3C2Tx MXene is reported, overcoming the barrier of irregular and nonplanar electrodeposition of Li. The prepared Li metal anode demonstrates stable cycling and high capacity retention, making it promising for application in Li metal batteries.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Jing Shang, Congxin Xia, Chun Tang, Chun Li, Yandong Ma, Yuantong Gu, Liangzhi Kou
Summary: The bending deformation of AgBiP2Se6 monolayers can manipulate the polarization direction and domain size, significantly improving the ferroelectric stability. This mechano-ferroelectric coupling represents a new mechanism for stabilization and polarization flip in 2D ferroelectrics, with potential applications in next-generation non-volatile storage devices.
NANOSCALE HORIZONS
(2021)
Article
Geology
Fan Xiao, Weipeng Lin, Qiuming Cheng
Summary: This study investigates the replacement processes of zinc by indium, silver, and copper in sphalerite using ab-initio calculations and molecular dynamics simulations. The results show that the substitution scheme of Cu+ + In3+-> 2Zn2+ is more stable than Ag+ + In3+-> 2Zn2+. The favorable temperatures for the two substitution processes are determined to be 225-250°C and 325-350°C. The findings provide insights into the natural mineralisation process of indium at the atomic or/and molecular scale.
ORE GEOLOGY REVIEWS
(2023)
Article
Chemistry, Physical
Hayden T. Robinson, Timothy R. Corkish, Christian T. Haakansson, Peter D. Watson, Allan J. McKinley, Duncan A. Wild
Summary: Mass spectrometry and anion photoelectron spectroscopy were used to study the gas-phase SN2 reaction involving Br- and CH3I. The anion photoelectron spectra associated with the reaction intermediates were presented. High-level CCSD(T) calculations were utilized to investigate the reaction intermediates and rationalize the photoelectron spectra.
Article
Chemistry, Multidisciplinary
Krzesimir Korona, Michal Terlecki, Iwona Justyniak, Michal Magott, Jan Zukrowski, Arkadiusz Kornowicz, Dawid Pinkowicz, Adam Kubas, Janusz Lewinski
Summary: Paddlewheel-type binuclear complexes with metal-metal bonding have attracted widespread interest due to their electronic structures and potential applications. In this study, the molecular and electronic structures of diiron(II,II) complexes with different ligands were explored, providing insight into the factors controlling their ground-state electronic configuration and structural diversity.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Zhenlian Chen, Bjoern Schwarz, Xianhui Zhang, Wenqiang Du, Lirong Zheng, Ailing Tian, Ying Zhang, Zhiyong Zhang, Xiao Cheng Zeng, Zhifeng Zhang, Liyuan Huai, Jinlei Wu, Helmut Ehrenberg, Deyu Wang, Jun Li
Summary: This study provides experimental evidence of peroxo species formed and confined in silicate cathodes at high voltage, while Co2+/Co3+ redox dominates at low voltage. These findings offer important insights for the rational design of high-energy-density cathodes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Electrochemistry
A. K. Larios-Galvez, R. Guardian-Tapia, R. Lopez-Sesenes, J. G. Gonzalez-Rodriguez
Summary: A study was conducted to investigate the effect of CaCl2, LiNO3, and CaCl2+LiNO3 on the corrosion behavior of 1018 carbon steel in the LiBr-H2O system. The results showed that the addition of these additives decreased the corrosion current density, while an increase in testing temperature and LiBr concentration increased the corrosion current density. Furthermore, the presence of these additives altered the control mechanism of the corrosion process.
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE
(2022)
Article
Physics, Applied
M. Miniya, O. Oubram, A. G. El Hachimi, L. M. Gaggero-Sager
Summary: In this paper, the Fano factor in two types of self-similar potential structures in a graphene monolayer is investigated. Scaling rules are proposed to represent a scale invariance between generations, main barrier heights, and total lengths of the structures. The study found that the self-similar substrate-based potential structure and electrostatic-based potential exhibit self-similar behavior in terms of the Fano factor and conductance.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Ana Karen Larios-Galvez, Roy Lopez-Sesenes, Estela Sarmiento-Bustos, Isai Rosales, Jorge Uruchurtu-Chavarin, Jesus Porcayo-Calderon, Jose Gonzalo Gonzalez-Rodriguez
Summary: This study evaluated the corrosion behavior of carbon steel, type 304, and 316L stainless steels in LiBr/H2O with the addition of CaCl2, LiNO3, and CaCl2+LiNO3 at 80 degrees C. The results showed that the corrosion current density values decreased with the addition of CaCl2 and/or LiNO3, resulting in the formation of a passive film on carbon steel. Both types of stainless steels exhibited a passive film, with 316L steel having the lowest passive current density and widest passive zone. The corrosion mechanism remained unchanged for stainless steels but changed for carbon steel with the addition of CaCl2 and/or LiNO3.
Article
Electrochemistry
Roy Lopez-Sesenes, Jose Gonzalo Gonzalez-Rodriguez, Jose Gerardo Vera-Dimas, Rene Guardian-Tapia, Luis Cisneros-Villalobos
Summary: The study investigated the galvanic corrosion process between aluminium alloy and carbon fiber reinforced plastic immersed in NaCl solution, using organic and inorganic compounds as corrosion inhibitors. Cerium nitrate hexahydrate was found to be the most efficient inhibitor, with additional improvement observed when 1,2,4-triazole was added. Electrochemical noise analysis and electrochemical impedance spectroscopy were used to evaluate the inhibitors' performance.
JOURNAL OF ELECTROCHEMICAL SCIENCE AND ENGINEERING
(2022)
Article
Physics, Condensed Matter
J. G. Rojas-Briseno, P. Villasana-Mercado, J. A. Briones-Torres, O. Oubram, S. Molina-Valdovinos, I Rodriguez-Vargas
Summary: The temperature effects on the transport properties of single magnetic silicene junctions were investigated, with specific parameters for spin-valley polarization and tunneling magnetoresistance (TMR) reaching optimized values at T=0K. The impact of temperature varies on different transport properties, with spin polarization maintaining at a considerable value up to T=80K, while valley polarization is more susceptible to temperature effects. Additionally, a stepwise spin-valley polarization can be achieved at low temperatures.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Nanoscience & Nanotechnology
Mohammed Miniya, Dan S. Diaz-Guerrero, Luis M. Gaggero-Sager, Outmane Oubram
Summary: This study reveals the existence of scaling transformations among the transmission curves in a self-affine golden structure based on graphene. The use of the golden ratio as the energy scaling factor implies the presence of scaling transformations for different self-affine graphene-based systems.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2022)
Article
Chemistry, Physical
Bing Tan, Abdul M. Reyes, Eduardo Menendez-Proupin, Sebastian E. Reyes-Lillo, Yanbo Li, Zemin Zhang
Summary: This study demonstrates that by building a gradient homojunction in BiFeO3 photocathodes, a full-space electric field can be induced, resulting in improved photocurrent and H2O2 production. The presence of Bi vacancies significantly modulates the Fermi level of BiFeO3, promoting charge collection.
ACS ENERGY LETTERS
(2022)
Article
Physics, Condensed Matter
O. Oubram, M. Sadoqi, L. Cisneros-Villalobos, I Rodriguez-Vargas
Summary: In this study, the tunneling magnetoresistance (TMR) in phosphorene was effectively modulated through periodic magnetic modulation. Periodic magnetic barriers were arranged in parallel (PM) and anti-parallel magnetization (AM) fashion along the phosphorene armchair direction. By adjusting the electrostatic potential appropriately, it was found that the AM conductance was significantly reduced while the PM conductance remained considerable, resulting in an effective TMR that increased with the magnetic field strength.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Electrochemistry
Israel Flores-Guadarrama, J. G. Gonzalez-Rodriguez, D. Garcia-Rosas, R. Guardian-Tapia, V. Leon-Hernandez, R. Lopez-Sesenes
Summary: This study analyzed the corrosion effect of lithium bromide/water blended with calcium chloride and lithium nitrate over the brass surface using electrochemical methods. The results showed that brass immersed in lithium nitrate + lithium bromide/water solution exhibited the highest resistance and lower corrosion current due to the modified behavior of the cathodic branch and the more prominent passivation zone. The presence of calcium chloride in the solution increased the corrosion process, while the addition of lithium nitrate decreased the corrosion parameters.
JOURNAL OF SOLID STATE ELECTROCHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Daniel Brito-Hernadez, Isai Rosales-Cadena, Jose G. Gonzalez-Rodriguez, Jorge Uruchurtu-Chavarin, Rene Guardian-Tapia, Jose G. Vera-Dimas, Roy Lopez-Sesenes
Summary: The effect of zirconia addition on the hot corrosion behavior of Mo3Si intermetallic alloy was evaluated using electrochemical methods. The addition of zirconia led to a decrease in grain size and a change in the corrosion current density values. The corrosion process was found to be under charge transfer control or diffusion control depending on the amount of zirconia added. X-ray diffraction analysis revealed the presence of SiO2, MoO4, Mo4O11, and ZrO2 in the passive layer.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2023)
Article
Materials Science, Multidisciplinary
D. Lopez-Dominguez, N. B. Gomez-Guzman, J. Porcayo-Calderon, R. Lopez-Sesenes, A. K. Larios-Galvez, E. Sarmiento-Bustos, E. Rodriguez-Clemente, J. G. Gonzalez-Rodriguez
Summary: A study was conducted to investigate the corrosion behavior of T91 steel in molten 60 wt% NaNO3-40%KNO3 at temperatures of 300, 400, and 500 degrees C for 1000 hours. Various techniques, including potentiodynamic polarization tests, linear polarization resistance (LPR) measurements, and electrochemical impedance spectroscopy (EIS), were used. The results showed the formation of a passive layer mainly composed of Cr2O3, FeCr2O4, NaCrO4, and K2Fe2O4 on the steel surface. The corrosion current density increased, while the polarization resistance decreased significantly with increasing temperature. EIS tests indicated a charge transfer controlled corrosion process independent of the temperature, with a decrease in the double electrochemical layer resistance as the temperature increased.
Article
Materials Science, Multidisciplinary
Israel Flores-Guadarrama, Jose G. Gonzalez-Rodriguez, Jorge Uruchurtu-Chavarin, A. M. Ramirez-Arteaga, Genoveva Bustos Rivera Bahena, R. Guardian-Tapia, Roy Lopez-Sesenes
Summary: This research focuses on the corrosion resistance of copper in Adsorption Refrigeration Systems (ARS) using refrigerant-absorbent combinations such as lithium bromide (LiBr), lithium nitrate (LiNO3), and calcium chloride (CaCl2). Various electrochemical techniques were applied to study the effect of test solution combinations on the corrosion rate of copper. The results show that the corrosion current density is lower when copper is immersed in LiBr/H2O + CaCl2 at 80°C.
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Isai Rosales-Cadena, Jose Gonzalo Gonzalez-Rodriguez, Constancio Diaz-Reyes, Rene Guardian-Tapia, Juan Antonio Ruiz-Ochoa, America Maria Ramirez-Arteaga, Roy Lopez-Sesenes
Summary: In this investigation, Cu-Ni alloys with different aluminum additions were synthesized under a vacuum atmosphere to reduce the material density. The samples with high aluminum concentration exhibited a refined dendritic structure. Structural defects analyses showed relatively low vacancy concentrations. Hardness evaluations and compression tests demonstrated that aluminum additions can significantly improve the hardness and strength of the alloys.
Article
Materials Science, Multidisciplinary
O. Oubram, J. G. Rojas-Briseno, S. Molina-Valdovinos, I Rodriguez-Vargas
Summary: Contrary to expectations, this study finds that structural disorder can improve the magnetoresistive and spin-valleytronic properties of magnetic silicene superlattices. The results show that structural disorder eliminates conductance oscillations and differentiates the conductance response for parallel and antiparallel magnetization configuration, thus enhancing the magnetoresistance response and spin-valley polarization. Magnetic silicene superlattices with moderate structural disorder are more convenient for designing versatile devices with magnetoresistive and spin-valleytronic capabilities.
Article
Chemistry, Applied
N. J. Anzurez Valdez, R. Lopez-Sesenes, A. K. Larios-Galvez, E. Vazquez-Velez, J. Uruchurtu-Chavarin, J. G. Gonzalez-Rodriguez
Summary: The corrosion inhibition of AA2024-T3 Aluminium alloy in 3.5% NaCl solution by using litchi chinensis seed ethanolic extract has been studied. The results showed that the extract is an effective corrosion inhibitor, with its efficiency increasing with concentration. The inhibitor adsorbed onto the metal surface through physical and chemical processes, forming a protective corrosion products layer.
REVISTA MEXICANA DE INGENIERIA QUIMICA
(2022)
