Article
Physics, Fluids & Plasmas
Effran Mirzad Rafael, Luca Tonti, Fabian A. Garcia Daza, Alessandro Patti
Summary: By conducting dynamic Monte Carlo simulations, the microrheology of isotropic suspensions of hard-core colloidal cuboids is investigated. The local viscoelastic behavior of these fluids is inferred by studying the dynamics of a probe spherical particle that is incorporated in the host phase and dragged by an external force. Different responses are observed by tuning the geometry of cuboids and system density, and are quantified by measuring the effective friction perceived by the probe particle.
Article
Multidisciplinary Sciences
Hamed Almohammadi, Sandra Martinek, Ye Yuan, Peter Fischer, Raffaele Mezzenga
Summary: In the process of nucleation and growth, thermodynamics and kinetics play crucial roles in determining the composition, shape, structure and physical properties of heterogeneous colloidal systems. By selectively choosing colloidal systems and controlling phase separation, we can separate the effects of kinetics from thermodynamics and discover new physical phenomena. This approach enables the on-demand fabrication of multicomponent heterogeneous liquid crystals and opens up new research directions in multicomponent structured fluids.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Xinlan Tan, Ya Chen, Huaguang Wang, Zexin Zhang, Xinsheng Sean Ling
Summary: By using an external magnetic field to assist a colloidal system of super-paramagnetic anisotropic particles, researchers have successfully overcome the local free energy barriers in metastable states and approached the equilibrium phase, demonstrating a 2D isotropic-nematic phase transition with increasing packing density. The study explored the effects of anisotropy of colloidal particles on the 2D isotropic-nematic transition, comparing experimental results with previous computational work and reaching quantitative agreements.
Article
Chemistry, Physical
J. Opdam, V. F. D. Peters, H. H. Wensink, R. Tuinier
Summary: A theoretical framework is proposed to quantify the thermodynamic properties of multicomponent hard colloidal mixtures. The phase behavior of mixtures of rods with spheres and rods with plates are predicted using this framework, taking into account the liquid crystal phases of both components. The study demonstrates a rich and complex range of phase behaviors, featuring a large variety of different multiphase coexistence regions. The approach can qualitatively account for certain multiphase equilibria observed in rod/plate mixtures and will be useful in tuning the phase behavior of shape-disperse mixtures in general.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Paper & Wood
Marta Gubitosi, Shirin Asaadi, Herbert Sixta, Ulf Olsson
Summary: This study presents a new understanding of the colloidal structure of regenerated cellulose fibers through SAXS analysis, revealing oriented crystalline lamellae embedded within an amorphous cellulose matrix. The data suggests a different fiber structure than previously assumed, with lamellae oriented parallel to the fiber axis.
Article
Chemistry, Physical
Thomas G. Mason
Summary: This study extends the concept of depletion forces between spheres to depletion torques affecting the orientations of colloidal particles with complex shapes. It demonstrates that depletion torques can be tailored by designing specific geometrical features in the shapes of particles.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Yong Guo, Willem K. Kegel
Summary: This article presents a facile approach to prepare floating CCM from polymeric colloids and systematically investigates the influence of different solvents, substrate materials, and types of colloids on CCM formation. The robustness of the approach facilitates the preparation of CCM and the floating feature makes transferring CCM to other substrates possible, expanding its applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Abhishek K. K. Sharma, Fernando A. A. Escobedo
Summary: Monte Carlo simulations were used to investigate the effects of particle aspect ratio on the kinetics and phase behavior of hard gyrobifastigia (GBF). The results showed that an increase in aspect ratio reduces the kinetic barrier for the isotropic-crystal transition and stabilizes an intermediate nematic phase for highly oblate and prolate ratios. The study also supported two conjectures for crystallization: low phase free energies at the ordering phase transition correlate with low transition barriers, and the emergence of a mesophase expedites crystallization.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yuan Zhou, Rose K. Cersonsky, Sharon C. Glotzer
Summary: The study explores new ways to assemble diamond using modified gyrobifastigial (mGBF) nanoparticles, comparing the likelihood of defects in diamond self-assembled via mGBF vs. the current focus shape for assembling diamond, truncated tetrahedra. The potential route for realizing mGBF particles by dimerizing triangular prisms using attractive patches is introduced, along with the impact of this superstructure on photonic properties.
Article
Chemistry, Physical
Jianing Liu, Tong Shen, Shu Zhang
Summary: The study highlights the possibility of liquid-liquid phase transition in a one-component suspension by specifying physical parameters that can trigger LLPT and identifying the role of size in attraction besides surface charge. It accurately tracks the evolution from LLPT to nucleation for the first time, revealing the significance of PNCs and their impact on the pathway to nucleation.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Review
Polymer Science
Sanghyeon Park, Youngtaek Oh, Jeseung Moon, Hayoung Chung
Summary: This work provides a comprehensive review of continuum models for understanding the phase behaviors of liquid crystal networks (LCNs), a novel material with polymer and liquid crystal composition. The focus is on soft elasticity and spontaneous deformation exhibited by LCNs. Various constitutive models and finite element models are introduced, highlighting their importance in predicting LCNs' behavior. By disseminating these models, the review aims to facilitate the utilization of LCNs' full potential in engineering applications. Future research directions for advancing the understanding and control of LCNs are also discussed.
Article
Chemistry, Physical
Weibin Li, Chen Zhang, Ding Lan, Wenjie Ji, Zhongyu Zheng, Yuren Wang
Summary: In this work, an ultrafast, robust, and scalable approach of imbibition-induced assembly is introduced, which enables rapid self-assembly of colloidal particles into ordered structures through instantaneous solvent imbibition induced by nanoporous media. Experimental observations show that the nanoporous substrate can induce strong capillary flow and direct the rapid self-assembly of particles, and the imbibition-induced assembly combined with meniscus-guided printing significantly improves the printing speed. The study successfully demonstrates an effective and ultrafast approach for assembling colloidal particles into photonic crystals with controllable sizes and shapes on the macroscale.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Deepak Gupta, Przemyslaw Kula, Ayon Bhattacharjee
Summary: Liquid crystalline materials possess both crystal-like ordering and liquid-like fluidity, making them desirable for various technological applications. In this study, a chiral semi-fluorinated material, 3F6Bi, was investigated for its charge dynamics, electrical properties, and polarized light microscopic measurements of its three polar smectic phases. Dielectric biaxiality and relaxation processes were also probed in the low-frequency regime, along with calculations of spontaneous polarization, response time, and rotational viscosity using the reverse field technique.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Physics, Fluids & Plasmas
Vianney Gimenez-Pinto
Summary: This work numerically investigates the effect of particle size and solvent size in the process of solidification templating. It shows the existence of a threshold speed for crystallization templating and analyzes the combined effects of particle-crystal interaction strength and size effects. These findings provide a starting point for the development of hybrid soft materials via structural templating.
Article
Polymer Science
Xinqiao Tang, Xiaolong Chang, Boyan Zhu, Luan Cui, Beihong Jiang, Fanbao Meng, Guiyang Yan
Summary: A series of pyridinium-based polymerized ionic liquid crystals (PILCs) with different anions were synthesized. The liquid-crystalline properties and conductivity properties of the PILCs were investigated. The PILCs showed temperature-dependent ionic conductivity, making them potentially useful for applications in temperature-controlled electronic switches.
POLYMERS FOR ADVANCED TECHNOLOGIES
(2022)
Article
Physics, Condensed Matter
Miguel Gonzalez-Pinto, Yuri Martinez-Raton, Szabolcs Varga, Peter Gurin, Enrique Velasco
JOURNAL OF PHYSICS-CONDENSED MATTER
(2016)
Article
Chemistry, Physical
Peter Gurin, Szabolcs Varga, Miguel Gonzalez-Pinto, Yuri Martinez-Raton, Enrique Velasco
JOURNAL OF CHEMICAL PHYSICS
(2017)
Article
Chemistry, Physical
Miguel Gonzalez-Pinto, Yuri Martinez-Raton, Enrique Velasco
Article
Chemistry, Physical
M. Gonzalez-Pinto, F. Borondo, Y. Martinez-Raton, E. Velasco
Article
Physics, Multidisciplinary
Miguel Gonzalez-Pinto, Johannes Renner, Daniel de las Heras, Yuri Martinez-Raton, Enrique Velasco
NEW JOURNAL OF PHYSICS
(2019)
Article
Mechanics
Yuri Martinez-Raton, Enrique Velasco
Summary: Recent studies have shown that fluid of hard right triangles possesses fourfold and quasi-eightfold (octatic) orientational symmetries. However, the standard density-functional theory and an extension incorporating three-body correlations fail to describe these symmetries. Strong particle clustering is proposed as a crucial factor to explain the origin of octatic symmetry. Analysis of four binary mixtures of hard right triangles and squares reveals the rich phenomenology in phase diagrams, including demixing and three-phase coexistences. The study also demonstrates the importance of clustering in explaining the orientational properties of liquid-crystal phases in some two-dimensional fluids.
Article
Chemistry, Multidisciplinary
Y. Martinez-Raton, E. Velasco
Summary: Vibrated monolayers of granular particles confined into horizontal cavities form fluid patterns with orientational order resembling liquid-crystal phases. Different shapes of particles exhibit various liquid-crystal phases, such as nematic and smectic patterns. The theoretical work and experimental results on rectangles and triangles, as well as the findings on cylinders and geometric frustration caused by confinement, are presented.
Article
Physics, Fluids & Plasmas
Yuri Martinez-Raton, Enrique Velasco
Summary: In this study, we introduce a model for a polydisperse rounded hard rectangle fluid and investigate the effects of roundness and polydispersity on phase behavior. Roundness has a significant impact on the stability of the tetratic phase and the transitions between isotropic, nematic, and tetratic phases. Polydispersity induces fractionation between coexisting phases and can change the transition order from second to first. The findings highlight the importance of considering roundness and polydispersity in understanding the behavior of complex fluids.
Article
Physics, Fluids & Plasmas
Yuri Martinez-Raton, Enrique Velasco
Summary: The study found that the theoretically predicted stable liquid-crystal phase with orientational order for two-dimensional hard right-triangle fluids is the uniaxial nematic phase, whereas Monte Carlo simulations predict exotic liquid-crystal phases with tetratic and octatic correlations.
Article
Physics, Multidisciplinary
Ariel Diaz-De Armas, Martin Maza-Cuello, Yuri Martinez-Raton, Enrique Velasco
PHYSICAL REVIEW RESEARCH
(2020)
Article
Physics, Fluids & Plasmas
Yuri Martinez-Raton, Enrique Velasco
Article
Physics, Fluids & Plasmas
Yuri Martinez-Raton, Enrique Velasco
Article
Physics, Fluids & Plasmas
Yuri Martinez-Raton, Ariel Diaz-De Armas, Enrique Velasco
Article
Physics, Fluids & Plasmas
Peter Gurin, Szabolcs Varga, Yuri Martinez-Raton, Enrique Velasco
Article
Physics, Fluids & Plasmas
Ariel Diaz-De Armas, Yuri Martinez-Raton
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)