Article
Chemistry, Physical
Toshiyuki Hibino
Summary: This study demonstrates a simple and novel method for synthesizing LDH-containing hydrogel by hydrothermally treated or untreated chloride-containing LDH particles, mixed with a superabsorbent polymer to form composite gel with high anion adsorption capacity.
APPLIED CLAY SCIENCE
(2021)
Article
Chemistry, Physical
Shanshan Lu, Qi Zhu, Renjing Li
Summary: In this study, organosilicon quaternary modified derived nickel-iron layered double hydroxide (NiFe-MLDH/OQAS) was used for selective removal of nitrate (NO3 ) in water. NiFe-MLDH/OQAS showed high adsorption rate and adsorption amount, as well as good selectivity and cyclic regeneration ability. These findings demonstrate the great potential of NiFe-MLDH/OQAS for removing NO3 .
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Xiang Zhao, Hui Li, Mu Zhang, Wei Pan, Zhengtang Luo, Xudong Sun
Summary: In this study, a hierarchical nanocage structure assembled by NiCo-LDH nanosheet arrays was designed and fabricated via a solvothermal method. By increasing the Ni concentration, the specific surface area and interlayer spacing of LDH nanosheets were enlarged, leading to improved electron/ion transfer kinetics and achieving higher specific capacitance and cycling stability. This design concept demonstrates the potential of metal-organic frameworks derivatives in energy storage systems.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Ceramics
Noriaki Arai, Katherine T. Faber
Summary: The effect of gravity on directional solidification in solution-based freeze casting was explored. Gravity can influence the segregation of polymer and create convective flow in the liquid phase, resulting in changes to the pore size and morphology of the freeze-cast structure.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Ceramics
Xiumei Wu, Shu Yu, Yunping Li
Summary: SiOC films were prepared by isothermal chemical vapor deposition with HMDSN as precursor. The deposition rate, microstructure, composition, and mechanical properties of the films were investigated with varying deposition temperature. The films exhibited different surface morphologies and compositions at different temperatures, and the hardness and elastic modulus were highest at 1373 K.
CERAMICS INTERNATIONAL
(2022)
Article
Construction & Building Technology
Shuxian Hong, Shaofeng Qin, Zheming Liu, Min Liu, Yuxin Zhang, Biqin Dong
Summary: In this study, in situ grown Mg/Al-CO32- layered double hydroxide (LDH) films were successfully proposed and synthesized on Q235 steel substrate to enhance the corrosion resistance of steel under aggressive chloride environments. The electrochemical and morphology results indicate that the steel with Mg/Al-CO32- LDH film exhibits excellent anticorrosion performance and long-term corrosion protection effect.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Materials Science, Ceramics
Gerson J. J. Leonel, Xin Guo, Gurpreet Singh, Christel Gervais, Alexandra Navrotsky
Summary: This study investigates the thermodynamic stability of SiC(O) and SCN(O) ceramics derived from different polymeric precursors. The results show that the microstructure of the polymer-derived ceramics (PDCs) differs depending on the precursor used. The addition of nitrogen contributes to the thermodynamic stabilization of PDCs, particularly in the case of SiCN(O) structures.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Xiaoyun Yu, Dara Bobb-Semple, Il-Kwon Oh, Tzu-Ling Liu, Richard G. Closser, William Trevillyan, Stacey F. Bent
Summary: By combining growth using molecular layer deposition (MLD) and inhibition using self-assembled monolayers (SAMs), we have successfully achieved the area-selective deposition of low-k methylene-bridged silicon oxycarbide (SiOC) thin films on metal/dielectric patterns. We demonstrated the application of this deposition method on different metal substrates and showcased positive and negative pattern transfer of SiOC films.
CHEMISTRY OF MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Su-Bin Lee, Eun-Hye Ko, Joo Y. Park, Jae-Min Oh
Summary: Mixed metal oxide (MMO) obtained from the calcination of layered double hydroxide (LDH) can achieve high specific surface area and porosity, with Mg-Al components generally resulting in higher specific surface area. The calcination temperature within the range of 300-600 degrees C leads to high surface area, while the presence of pore developing agent narrows the pore size distribution without significantly increasing the specific surface area of MMO.
Article
Materials Science, Multidisciplinary
Dominik Knozowski, Pradeep Vallachira Warriam Sasikumar, Romain Dubey, Marcel Aebli, Kostiantyn Kravchyk, Grzegorz Trykowski, Maksym Kovalenko, Thomas Graule, Monika Wilamowska-Zawlocka, Gurdial Blugan
Summary: In this work, a nanocomposite based on silicon oxycarbide and tin nanoparticles was synthesized using UV light. The SiOC ceramic matrix with a conductive free carbon phase showed excellent electrochemical stability and lithium-ion storage capacity. The SiOC/Sn nanocomposite exhibited high reversible capacity and stability as an anode for Li-ion batteries.
APPLIED MATERIALS TODAY
(2022)
Article
Polymer Science
Saino Yesudas, K. J. Sreejith, V. Vipin Vijay
Summary: This paper reports the synthesis and characterization of vinylhydridosilsesquioxane (SQVH-12), an organic silsesquioxane with Si vinyl and Si H groups. The high rate of ceramic residue and the presence of functional groups highlight the potential usefulness of SQVH-12 as a filler for vinyl-containing polysiloxanes. Further research on SQVH-12 can find applications in areas such as additive manufacturing, protective coatings, and advanced composites.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Chemistry, Physical
Rosembergue Gabriel Lima Goncalves, Davi Domingos Petrolini, Francielle Candian Firmino Marcos, Jose Mansur Assaf, Elisabete Moreira Assaf
Summary: This study evaluates the effect of porosity of LDH on the CO-PROX reaction. Experimental data shows that biochar as a hard template promotes structural changes in the LDH and enhances its activity. In situ DRIFTS analysis reveals that CO is adsorbed on both Cu+ and Cu0 sites, with Cu+ being the main species during the reaction for all catalysts.
APPLIED CLAY SCIENCE
(2023)
Review
Polymer Science
Hester Oosthuizen, Louise Jones, Sajid Naseem, F. J. W. J. Labuschagne, Andreas Leuteritz
Summary: Layered double hydroxides (LDHs) are functional fillers that are increasingly used in composite materials. They can be customized through metal and anion selection as well as specific processing methods, allowing for structures with desired properties. LDHs have various applications, including flame-retardants, UV stabilizers, and anti-microbial agents in polymer nanocomposites, as well as photo-absorbers in solar cells. This article provides an overview of LDH synthesis and modification, composite preparation, and characterization methods to showcase the ability for customization.
JOURNAL OF POLYMER SCIENCE
(2023)
Article
Engineering, Electrical & Electronic
Jun Hu, Guoqing Zhao, Xuan Long, Yinke Wang, Feipeng Jiao
Summary: A novel ZnS nanosheet was synthesized using a ZnAl-layered double hydroxide template for UV light-driven photocatalytic degradation of tetracycline pollutant, demonstrating higher efficiency and stability compared to other materials. The photocatalytic activity was 85.73% under UV light irradiation, showing enhanced performance over pure ZnS microspheres.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Chemistry, Physical
Xiaoliang Wang, Fenqi Wu, Jingxin Fan, Aonan Tian, Yan Cheng, Shaobin Yang
Summary: Alkaline etching has been used to synthesize NiTiAl layered double hydroxide, which increases the specific surface area, specific capacity, and rate performance of supercapacitor electrodes while maintaining better structural stability compared to NiTi layered double hydroxide. This approach resulted in a sample with a high specific surface area of 203 m(2)g(-1) and the highest specific capacity of 3483 mF cm(-2) under 5 mA cm(-2), outperforming the unetched samples. Additionally, the etched sample showed superior rate performance with a specific capacity of 2000 mF cm(-2) at 30 mA cm(-2).
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Engineering, Petroleum
Brandon A. Yokeley, Behzad Ghanbarian, Muhammad Sahimi
Summary: In this study, a new rock typing method based on two-phase flow data was proposed, classifying rocks based on their similarities in the critical pore radius at the same effective water saturation. By converting S-w - k(rw) plots to S-e - r(c) curves and applying a curve clustering method, similar rocks were identified.
Article
Engineering, Chemical
Samuel Richesson, Muhammad Sahimi
Summary: This study presents a novel model for estimating the flow and transport properties of porous media under external pressure, utilizing elastic deformation and particle contact theory. The model accurately predicts the effective permeability of different types of sandstones under varying pressure levels, demonstrating excellent agreement with experimental data.
TRANSPORT IN POROUS MEDIA
(2021)
Article
Engineering, Chemical
Samuel Richesson, Muhammad Sahimi
Summary: This paper introduces a theoretical approach to compute the effective permeability and electrical conductivity of porous media under pressure deformation, and validates the method's effectiveness through experimental data comparison.
TRANSPORT IN POROUS MEDIA
(2021)
Article
Multidisciplinary Sciences
Khatereh Azizi, S. Mehdi Vaez Allaei, Arman Fathizadeh, Ali Sadeghi, Muhammad Sahimi
Summary: Through molecular dynamics simulations and density functional theory, it has been found that graphyne-3 shows excellence in separating small gas molecules, particularly with hydrogen permeance far exceeding other membranes and ruling out the possibility of chemisorption.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Serveh Kamrava, Muhammad Sahimi, Pejman Tahmasebi
Summary: A machine learning approach incorporating mass conservation and the Navier-Stokes equations is introduced for accurately predicting flow properties of porous media with reduced computation time. The method shows high accuracy in predictions and can be applied to different porous media with reliable results.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Engineering, Chemical
Salome M. S. Shokri-Kuehni, Muhammad Sahimi, Nima Shokri
Summary: This paper summarizes the open challenges regarding saline water evaporation from porous media, focusing on the formation of crystallized porous salt layers during drying and their impact on water losses. Suggestions for future research directions in predicting saline water evaporation from porous media are also provided.
Article
Physics, Multidisciplinary
Hossein Hamzehpour, Sara Pazoki, Malihe Khazaei, Muhammad Sahimi
Summary: This study conducted extensive Monte Carlo simulations to investigate the effect of PDF on the properties of fracture networks, including effective permeability, mean porosity, excluded volume, and percolation threshold. It was found that the impact of PDF on fracture network properties is stronger when the distributions are broad. Both mean porosity and effective permeability follow power laws that depend on the width of the PDF.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Mechanics
Abdullah Aljasmi, Muhammad Sahimi
Summary: The study proposes a method to accelerate image-based computations for simulating multiphase flow with the color-fluid lattice Boltzmann method, successfully speeding up the calculations. In simulations of two-phase flow problems, the method demonstrates a significant acceleration in computations.
Article
Mechanics
Senyou An, Muhammad Sahimi, Takshak Shende, Masoud Babaei, Vahid Niasar
Summary: In this paper, a pore network model is proposed to simulate thermal transport in flow through three-dimensional unstructured pore networks. The study investigates the effects of pore space heterogeneity, injection flow rate, and shear-thinning rheology on thermal-viscous fingering instability in porous media. The results highlight the importance of designing optimal flow conditions for application purposes.
Article
Engineering, Chemical
Muhammad Sahimi
Summary: Experiments, simulations, and models have shown that the dynamic permeability of porous media can be described by a universal function of the rescaled frequency, regardless of the morphology. Two approaches, the dynamic effective-medium approximation and critical-path analysis, both support the universality of the rescaled dynamic permeability in heterogeneous porous media. This has important implications for the electrical conductivity, formation factor, and diffusion coefficients of porous media.
TRANSPORT IN POROUS MEDIA
(2022)
Article
Chemistry, Physical
Nasrin Torabi, Fatemeh Ebrahimi, G. R. Maktabdaran, Muhammad Sahimi
Summary: This article investigates the impact of nano-junctions on the rate of water transport in a nanostructured system. It reveals that the wall-water friction coefficient increases dramatically with roughness, but water flow in relatively complex nanochannels is still significantly enhanced.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Engineering, Chemical
Muhammad Sahimi, Pejman Tahmasebi
Summary: This article discusses the development of quantum computer algorithms and their potential applications in geoscience. Despite the challenges that still need to be overcome, there are already intermediate-scale quantum computers available for various problems.
TRANSPORT IN POROUS MEDIA
(2022)
Article
Environmental Sciences
Senyou An, Muhammad Sahimi, Vahid Niasar
Summary: Hydrodynamic dispersion in flow through porous media is an essential phenomenon in many geosystems. However, limited studies have focused on dispersion in flow of non-Newtonian fluids. This study used pore-scale simulations to investigate the effects of rheology and flow dynamics on hydrodynamic dispersion. Surprisingly, the simulations revealed a non-monotonic relationship between injection rate and dispersivity, highlighting the need for improved theories of transport in porous materials for non-Newtonian fluids.
WATER RESOURCES RESEARCH
(2022)
Article
Engineering, Chemical
Mehryar Amir Hosseini, Serveh Kamrava, Muhammad Sahimi, Pejman Tahmasebi
Summary: The wettability of porous media significantly impacts the spatial distribution of fluid phases. Computer simulations show that contact angle affects particle dynamics, fluid velocity, and rupture in the pore space. Additionally, increasing contact angle reduces inter-particle interactions and increases drag force, leading to larger particle displacement.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Physics, Fluids & Plasmas
Jinwoo Im, Felipe P. J. de Barros, Sami Masri, Muhammad Sahimi, Robert M. Ziff
Summary: With advancements in instrumentation and computational power, we now have access to large amounts of data for complex phenomena in macroscopically heterogeneous media. The traditional method of averaging equations over heterogeneity is no longer valid, leading to an open question of discovering governing equations for flow and transport processes. In this study, a data-driven approach using stochastic optimization and symbolic regression is proposed to discover these equations, which can be based on experimental data or microscopic simulation. As an example, the equation for anomalous diffusion on the critical percolation cluster is discovered and found to agree with previous proposals.
Article
Chemistry, Applied
Lulu Wan, Gan Ye, Yuying Chang, Zhaohan Yang, Guangming Shi, Qiuli Zhang, Jin Wang
Summary: This study developed an efficient approach to upgrade the oxidative desulfurization (ODS) performance of Zr-MOFs with proton stimulation. Experimental results showed that the introduction of protons can significantly improve the ODS efficiency. This work provides a facile and efficient strategy for enhancing the ODS performance of pristine MOFs.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Qiqi Lu, Xiu-Zhi Wei, Qi Zhang, Xinghua Zhang, Lungang Chen, Jianguo Liu, Yubao Chen, Longlong Ma
Summary: The application of Pd-M bimetallic clusters in the selective hydrogenation reaction was investigated, and the Pd0.6Ni@S-1 catalyst was found to exhibit high selectivity in the conversion of phenylacetylene to styrene. The confinement effect of zeolite inhibited over-hydrogenation and improved the stability of the catalysts. Furthermore, the solvent properties also influenced the product distribution.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Review
Chemistry, Applied
Bo Li, Lumin Hong, Changdi Jing, Xianyang Yue, Huabo Huang, Qianqian Jiang, Jianguo Tang
Summary: MOF materials with adjustable pore structure and polymetallic sites have been explored as electrocatalysts for OER. Bimetallic materials show higher electrocatalytic activity than monometallic materials, while carbon-coated and doped MOF catalysts exhibit stable and good OER activity. The synergistic interaction between polymetallic active sites effectively improves the intrinsic activity of MOF on OER.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shichun Gu, Ruyi Wang, Junxiong Zhang, Hairong Dong, Liping Deng, Xue Wang, Yapeng He
Summary: In this study, monodispersed hollow mesoporous organosilica nanospheres with controlled core cavity and mesoporous shell were successfully synthesized. These hollow nanospheres showed a high adsorption capacity for Pb2+ in water solution and exhibited acceptable recycling and stability.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Lucie Havelkova, Bogdana Bashta, Michaela Vankova, Jiri Zednik, Jiri Brus, Jan Svoboda, Alice Vagenknechtova, Jan Sedlacek
Summary: An atom-economic one-step chain-growth coordination homopolymerization providing high yields of functionalized hyper-cross-linked polyacetylenes with a permanent micro/mesoporous texture and a BET area of up to 1062 m2/g is reported. The homopolymerization is highly compatible with the heteroatom groups of the monomers and allows the preparation of well-defined porous networks with a wide spectrum of univalent groups.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shirui Pang, Yuxin Liu, Zhe Zhang, Yuxin Li, Chunguang Li, Zhan Shi, Shouhua Feng
Summary: This study focuses on using a functional separator to suppress the shuttle effect of soluble lithium polysulfides in Li-S batteries. It is found that the functionalized sulfonic acid group not only accelerates the conduction of lithium ions, but also repels polysulfide anions through electrostatic interactions. The performance of the batteries is significantly improved with the use of this functionalized separator.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Pingping Li, Lei Han, Donghun Kim, Kemal Celebi
Summary: This study presents a fast synthetic strategy for the preparation of high-quality platelike MFI crystals using a thin-wall tubular reactor. The strategy is efficient, time-saving, and can be optimized, making it applicable to the preparation and optimization of other important materials.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Haitao Yin, Wei Wang, Yuxin Li, Hu Wen, Shuang Chen, Nanzhe Jiang
Summary: This study presents a template-free and solid-state-like crystallisation method for the synthesis of ZSM-5 zeolite, which can be scaled-up in production. Mechanical mixing of starting material components improves the dispersion of materials, leading to ZSM-5 zeolite with high crystallinity and size uniformity.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Congli Li, Jiang Wang, Zhenfei Wang, Jinxiang Dong, Qi Shi
Summary: This study investigates the evolution and autoreduction behavior of Cu species in CuCl/NaY adsorbent during vacuum thermal activation. It is found that Cu species migrate from supercages to the nearby plane of the six-membered ring connecting the supercage and sod cage during vacuum activation. At 150 degrees C, vacuum autoreduction occurs, resulting in the formation of Cu+Cl- species. The results provide reference for the preparation of pi-complex adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Irena Khatrin, Iman Abdullah, Alan J. Mccue, Yuni K. Krisnandi
Summary: Hierarchical porous system with two types of mesopores provides a solution to the diffusion limitation in conventional zeolites. Cobalt oxide impregnated hierarchical ZSM-5 zeolite samples with intra- and inter-crystalline mesopores were synthesized using two different strategies. The physicochemical properties of the modified catalysts were analyzed, revealing distinct features given by the two mesoporous configurations. Catalytic activity analysis showed that Co-oxide/ZSM-5 with inter-crystalline mesopores exhibited higher activity in methane partial oxidation reaction compared to Co-oxide/ZSM-5 with intra-crystalline mesopores.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Nataliia Reinders, Martin Durovic, Pavla Honcova, Zaneta Dohnalova, Jana Luxova, Stanislav Slang, Jhonatan Rodriguez-Pereira, Petra S. Sulcova
Summary: This study presents a new method for preparing a microporous Ni2P/C catalyst with high catalytic activity. The redox reaction and carbon matrix formation during high-temperature treatment contribute to the stability and activity of the catalyst. Experimental and analytical results suggest that the microporous structure of the composite plays a crucial role in its catalytic performance. These findings are important for practical applications of efficient hydrogen production by water electrolysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Ana Raquel Bertao, Viktoriya Ivasiv, Cristina Almeida-Aguiar, Patricia R. Correia, Antonio M. Fonseca, Manuel Banobre-Lopez, Fatima Baltazar, Isabel C. Neves
Summary: This study developed a zeolite-based delivery system (ZDS) using silver and 5-Fluorouracil as antimicrobial and antineoplastic agents. The ZDS was characterized and its antimicrobial properties were investigated, showing better antibacterial effectiveness for the ZDS containing both silver and 5-FU.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Naonobu Katada, Nobuki Ozawa, Etsushi Tsuji, Keigo Kanehara, Akiho Otsuka, Taiga Sakamoto, Kirari Umezawa, Hitoshi Matsubara, Satoshi Suganuma, Momoji Kubo
Summary: First principles calculations were used to investigate the pathway for methylation of benzene with methane catalyzed by MFI type zeolite-supported Co species. The strong adsorption of benzene on Co is found to lower the activation energy for methane dissociation and promote the formation of toluene precursor. The activation energy of methane dissociation is also affected by the Al-Al distance.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Yuan Liu, An T. Ta, Kyoung Chul Park, Shenyang Hu, Natalia B. Shustova, Simon R. Phillpot
Summary: We use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our results demonstrate that crown ethers can capture cerium, americium, and curium ions, and modifying the crown ether structure by substituting nitrogen atoms for oxygen atoms significantly increases their binding energies with radionuclides.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Zhengwu Peng, Shixing Wang, Yihui Wu, Xiang Liu, Hongliang Liu, Dekun Zhang, Likang Fu
Summary: An efficient adsorbent for recovery of germanium was prepared and characterized in this study. The adsorption behavior of Ge(IV) on the adsorbent was analyzed, and the results showed that it follows pseudo-secondary kinetic model and Langmuir isotherm model. The adsorbent exhibited good anionic anti-interference ability and can still maintain high adsorption efficiency after repeated adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)