Article
Chemistry, Physical
Yadava Krishnan Ponraj, Bhaskarjyoti Borah
Summary: In this study, a high-throughput computational screening of around 12,000 experimentally realizable metal-organic framework (MOF) structures was conducted to identify the best candidates for separating methane from ethane and propane at ambient conditions. Two MOFs, AZIVAI and BEWCUD, were found to perform the best for this separation. The research also revealed a trade-off relation between selectivity and working capacity, with different behaviors of heat of adsorption on these two metrics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Chemical
Wenfei Wang, Lulu Zhang, Chengzhi Cai, Shuhua Li, Hong Liang, Yufang Wu, He Zheng, Zhiwei Qiao
Summary: High-throughput computational screening was used to calculate the properties of thousands of Computation-Ready, Experimental Metal-Organic Frameworks (CoRE-MOFs) for the adsorption and separation of chemical warfare agents (CWAs) and their simulants. Five machine learning algorithms were employed to evaluate the structure-performance relationships of MOFs, with Extreme Gradient Boosting algorithm providing the best prediction accuracy. Four MOF descriptors (henry coefficient, number of hydrogen bonds, porosity, and volumetric surface area) were found to significantly influence the properties of MOFs. The findings provide valuable insights for the development of MOFs and other nanoporous materials for capturing CWAs from the air.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Shihui Wang, Min Cheng, Lei Luo, Xu Ji, Chong Liu, Kexin Bi, Li Zhou
Summary: This study proposes a computer-aided high-throughput screening strategy for the selection of metal-organic frameworks (MOFs) for CH4/H-2 separation. Using molecular simulation and large-scale calculations, the top-performing MOFs were identified, and the impact of practical factors such as humidity and operation temperature on the performance of the selected adsorbents was explored.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Guangtong Hai, Xiangdong Xue, Shihao Feng, Yuwei Ma, Xiubing Huang
Summary: Metal-organic frameworks (MOFs) are potential electrocatalytic materials for the carbon dioxide reduction reaction (CO2RR). Through computational and experimental screening, three MOFs were identified as potential catalysts for the electrocatalytic CO2RR. Additionally, the study proposes that the polarity of coordination bonds plays a significant role in CO2 activation and product selectivity.
Article
Chemistry, Physical
Miao Wang, Faquan Yu
Summary: This paper introduces a high-throughput evaluation system using phase change nanoparticles (PCMs) as taggants to label MOFs, allowing for the evaluation of multiple MOFs in one batch. The vapor adsorption of MOFs can be determined through thermogravimetric analysis (TGA) and the PCM taggant can be decoded with a differential scanning calorimeter (DSC) to correlate with MOF composition.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Nanoscience & Nanotechnology
Junyu Ren, Shihui Wang, Kexin Bi, Min Cheng, Chong Liu, Li Zhou, Xiaoyu Xue, Xu Ji
Summary: In this study, a hybrid artificial intelligence machine learning-enabled framework is proposed for high-throughput screening of metal-organic frameworks (MOFs) as adsorbents for radon separation. The framework successfully identified MOFs with high adsorbent performance scores and high regenerability, and two MOF candidates with better performance than the current best-performing MOF were discovered. The proposed framework has the potential to provide guidelines for the strategic design of MOFs for radon separation.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Ying Yu, Li Wan, Wenqian Cheng, Shunli Shi, Mingwei Yuan, Yanping Luo, Liren Mei, Tong Xu, Shuhua Wang, Dan Zhao, Weiming Xiao, Fanrong Ai, Qianrong Fang, Chao Chen
Summary: In this article, a new strategy to develop an unprecedented microcatalyst based on pneumatic printing and magnetic field induction technology is introduced. The printed microcatalysts exhibited excellent catalytic performance in various reactions and could be potentially applied in large-scale industrial production.
INORGANIC CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Ibrahim B. Orhan, Hilal Daglar, Seda Keskin, Tu C. Le, Ravichandar Babarao
Summary: Machine learning is utilized in this study to predict the properties of metal-organic frameworks (MOFs), demonstrating its potential in material screening. Models including different descriptor groups yield the best overall results, accurately predicting the adsorption and diffusion selectivity of MOFs.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Environmental
Min Cheng, Shihui Wang, Zhiyuan Zhang, Xu Ji, Chong Liu, Yiyang Dai, Yagu Dang, Li Zhou
Summary: This study proposes a high-throughput virtual screening strategy for the selection of metal-organic frameworks (MOFs) for Xe recovery from exhaled anesthetic gas mixture. Through pre-screening and simulation evaluation, ten top-performing MOFs for Xe recovery were identified, and three design strategies for developing high-performing new MOFs were proposed.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Hu Qi, Yueyang Xu, Ning Gu, Yiting Han, Xiaobin Zhang, Yongping Zeng
Summary: Metal-organic frameworks (MOFs) are being studied for their unique physical properties in the adsorption and separation of mercury. Zr-MOFs have gained attention due to their stability and adsorption performance. However, experimental studies to identify ideal candidates for mercury capture are not feasible, so we used molecular simulations to calculate the adsorption properties of 181 Zr-based MOF candidates. We identified the best-performing Zr-MOFs for mercury removal from industrial flue gases using a high-throughput screening method, emphasizing the importance of structure-property relationships in Zr-MOFs.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Yaling Yan, Lulu Zhang, Shuhua Li, Hong Liang, Zhiwei Qiao
Summary: This review summarizes the calculated works of MOFs in the field of porous materials in recent years, with a focus on the development of MOF adsorbents and the application of machine learning in high-throughput computational screening. The paper highlights the bottlenecks and challenges for the future commercialization of HTCS based on ML, as well as the potential future development directions of this field.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Minjung Kang, Sunghyun Yoon, Seongbin Ga, Dong Won Kang, Seungyun Han, Jong Hyeak Choe, Hyojin Kim, Dae Won Kim, Yongchul G. Chung, Chang Seop Hong
Summary: Ni(IN)2 has been identified as a promising adsorbent for selective C2H6 adsorption, exhibiting high selectivity and recyclability for C2H4 production. Process-level simulations show it to be one of the top-performing materials for ethane/ethylene separation in the study's conditions.
Article
Chemistry, Inorganic & Nuclear
Bao-Yi Li, Rong Li, Wen-Fei Wang, Juan Gao, Mei-Juan Xie, Jian Lu, Fa-Kun Zheng, Guo-Cong Guo
Summary: Efficient cathode-ray scintillation coordination polymers with good stability at high voltage were prepared by conjugating luminescent groups with d(10) metal ions. The synergistic effect of inorganic metal and organic ligand suppresses the self-quenching of the conjugated luminescent groups and enhances the scintillation performance. This work provides new ideas for the design of new field-emission displays and cathode-ray scintillation materials.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Guofeng Zhang, Meifang Lv, Yaxin Liu, Xue Hao, Yongbin Zou, Zhiwen Ye, Zhen Dong
Summary: A promising strategy is proposed to handle the contradiction of energetic materials regarding the trade-off between energy and stability. A series of novel high-performance energetic metal-organic frameworks and energetic salts were synthesized, characterized, and fully investigated. The comprehensive physiochemical properties of the synthesized substances were evaluated through various measurements and simulations. The relationships between the molecular structures of the compounds and their thermal stabilities, mechanical sensitivities, and detonation performance were thoroughly discussed.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Liwei Zhao, Jian Yang, Ming Gong, Ke Li, Jinlou Gu
Summary: The study proposes a novel strategy for screening prostate cancer patients by detecting sarcosine in urine samples. Using hierarchical mesoporous Zr-based metal-organic frameworks, the study successfully identified the minor concentration changes of sarcosine in urine samples between PCa patients and healthy individuals.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Mengtan Liu, Ryan D. McGillicuddy, Hung Vuong, Songsheng Tao, Adam H. Slavney, Miguel Gonzalez, Simon J. L. Billinge, Jarad A. Mason
Summary: Molten phases of metal-organic networks offer exciting opportunities for using coordination chemistry principles to access liquids and glasses with unique and tunable structures and properties. General thermodynamic strategies provide increased enthalpic and entropic driving force for reversible, low-temperature melting transitions in extended coordination solids, illustrated through a systematic study of bis(acetamide)-based networks with record-low melting temperatures. Weak coordination bonds, conformationally flexible bridging ligands, and weak electrostatic interactions contribute to the low melting temperatures of these compounds, reducing enthalpy and increasing entropy of fusion.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Malia B. Wenny, Nicola Molinari, Adam H. Slavney, Surendra Thapa, Byeongdu Lee, Boris Kozinsky, Jarad A. Mason
Summary: Understanding the factors that govern gas absorption in ionic liquids is crucial for developing high-capacity solvents. Experimental probes and molecular dynamics simulations reveal the relationship between liquid structure and gas absorption properties, providing guidance for designing ionic liquids with high gas solubilities.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Multidisciplinary
Kurtis M. Carsch, Andrei Iliescu, Ryan D. McGillicuddy, Jarad A. Mason, Theodore A. Betley
Summary: The study found that (L-EMind)Cu(O-2) exhibits exceptional air and thermal stability in molecular copper-dioxygen coordination chemistry, with the O-2 binding being reversible. Additionally, it plays a crucial role in catalytic oxidation reactions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Grace A. Pan, Dan Ferenc Segedin, Harrison LaBollita, Qi Song, Emilian M. Nica, Berit H. Goodge, Andrew T. Pierce, Spencer Doyle, Steve Novakov, Denisse Cordova Carrizales, Alpha T. N'Diaye, Padraic Shafer, Hanjong Paik, John T. Heron, Jarad A. Mason, Amir Yacoby, Lena F. Kourkoutis, Onur Erten, Charles M. Brooks, Antia S. Botana, Julia A. Mundy
Summary: This study reports the synthesis of Nd6Ni5O12, a new type of superconducting nickelate material that achieves optimal cuprate-like electron filling without the need for chemical doping. The material exhibits a superconducting transition around 13K and displays behavior intermediate between cuprate-like and infinite-layer nickelate-like behavior. This indicates that square-planar nickelates are a new family of superconductors that can be tuned through both doping and dimensionality.
Article
Chemistry, Multidisciplinary
Jinyoung Seo, Jason D. Braun, Vidhya M. Dev, Jarad A. Mason
Summary: Barocaloric effects, induced by applied hydrostatic pressure, offer promise for solid-state refrigerants. The pressure-induced spin-crossover transitions in a molecular iron(II) complex have been found to drive giant and reversible barocaloric effects, providing new insights for the design of barocaloric materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Jinyoung Seo, Ryan D. McGillicuddy, Adam H. Slavney, Selena Zhang, Rahil Ukani, Andrey A. Yakovenko, Shao-Liang Zheng, Jarad A. Mason
Summary: This study presents a new mechanism for achieving colossal barocaloric effects using the volume and conformational entropy changes of organic bilayers in select two-dimensional metal-halide perovskite materials. By controlling the inorganic-organic interface, phase transition hysteresis is reduced, resulting in ultralow hysteresis and high pressure sensitivity, leading to record-low pressure with colossal reversible isothermal entropy changes.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Adam H. Slavney, Hong Ki Kim, Songsheng Tao, Mengtan Liu, Jarad A. Mason, Simon J. L. Billinge
Summary: Glassy phases of framework materials offer unique and tunable properties for various applications. A new guanidinium organosulfonate hydrogen-bonded organic framework (HOF) has been discovered, which demonstrates melting and vitrification below 100 degrees C. Non-covalent interactions between guest molecules and the porous framework play a crucial role in the overall stability of the structure, leading to guest-dependent transitions. Through simulations and X-ray scattering, it is found that the local structures of the amorphous liquid and glass phases resemble those of the parent crystalline framework.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Daniel P. Erdosy, Malia B. Wenny, Joy Cho, Christopher DelRe, Miranda Walter, Felipe Jimenez-Angeles, Baofu Qiao, Ricardo Sanchez, Yifeng Peng, Brian D. Polizzotti, Monica Olvera de la Cruz, Jarad A. Mason
Summary: Liquids with permanent microporosity can be used for gas storage and transport, and a thermodynamic strategy has been discovered to make water a permanent microporous liquid that can concentrate gases such as oxygen, showing potential for physiological gas transport.
Article
Chemistry, Multidisciplinary
Mengtan Liu, Adam H. Slavney, Songsheng Tao, Ryan D. McGillicuddy, Cassia C. Lee, Malia B. Wenny, Simon J. L. Billinge, Jarad A. Mason
Summary: Metal-organic materials with high tunability and predictable structures are powerful for studying glass formation and crystallization processes. In this study, a novel series of metal-ethylenebis(acetamide) networks that exhibit reversible glass and crystallization transitions below 200 degrees C are reported. The properties of these materials, including glass-transition temperatures, crystallization kinetics, and glass stability, can be easily tuned through synthetic modification or liquid-phase blending. Pair distribution function (PDF) analysis reveals structural correlations in both single and binary metal-bis-(acetamide) glasses and emphasizes the role of metal-metal correlations in glass-crystal transitions. Notably, a binary network of Co-ethylenebis(acetamide) shows a large reflectivity contrast ratio resulting from changes in Co center's local coordination environment. These findings provide insights into glass-crystal transitions in metal-organic materials and have potential implications for optical switching, rewritable data storage, and functional glass ceramics.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Malia B. Wenny, Miranda Walter, Adam H. Slavney, Jarad A. Mason
Summary: In this paper, a generalizable method for the synthesis of fluorinated ionic liquids is reported, which relies on the evolution of gaseous byproducts to drive product formation. This synthetic strategy overcomes solubility challenges that can hinder the synthesis of highly fluorinated ionic liquids via conventional methods and enables a systematic investigation of the effect of fluorination on ionic liquid viscosity and gas solubility.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Yingwei Li, Hong Ki Kim, Ryan D. McGillicuddy, Shao-Liang Zheng, Kevin J. Anderton, Grant J. Stec, Jaehyeong Lee, Dongtao Cui, Jarad A. Mason
Summary: In this study, Au43(C-CtBu)20 and Au42Ag1(C-CtBu)20 metal nanoclusters with open electronic and geometric shells were reported, showing paramagnetism and enhanced catalytic activity from a single coordinatively unsaturated surface metal. These nanoclusters exhibit helical stripes around the inner Au12 kernel, giving them chirality and high thermal stability. Experimental and theoretical calculations showed minimal energy differences between the open-shelled nanoclusters and hypothetical closed-shell systems, and the open-shelled configuration resulted in the largest band gap, thus promoting cluster stability. Additionally, the coordinatively unsaturated surface metals were found to create active sites for catalytic oxidation, leading to high selectivity and conversion. This study provides a promising platform for investigating the magnetic and catalytic properties of noble metal nanoparticles.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Dan Ferenc Segedin, Berit H. Goodge, Grace A. A. Pan, Qi Song, Harrison LaBollita, Myung-Chul Jung, Hesham El-Sherif, Spencer Doyle, Ari Turkiewicz, Nicole K. Taylor, Jarad A. Mason, Alpha T. N'Diaye, Hanjong Paik, Ismail El Baggari, Antia S. Botana, Lena F. Kourkoutis, Charles M. Brooks, Julia A. Mundy
Summary: This study investigates the influence of epitaxial strain on the synthesis and reduction process of Nd4Ni3O10 films, revealing different structures and transport properties on different substrates. The results provide a pathway for the synthesis of Ndn+1NinO2n+2 thin films and set limits on the ability to strain engineer these compounds via epitaxy.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Agnes E. E. Thorarinsdottir, Daniel P. P. Erdosy, Cyrille Costentin, Jarad A. A. Mason, Daniel G. G. Nocera
Summary: Electrocatalysis of small gas molecules using renewable energy sources offers a promising pathway for carbon-neutral fuels and chemicals. However, the low solubility of gas molecules in water limits the energy and power densities of these reactions that rely on water as a source of protons and electrons. In this study, we show that the use of microporous water with hydrophilic external surfaces and hydrophobic internal surfaces significantly enhances the oxygen reduction reaction (ORR) electrocatalysis in water. The use of silicalite-1 nanocrystals as an O-2-concentrating microporous electrolyte solution greatly increases the ORR current, partially limiting the activity of Pt as an ORR catalyst and allowing direct measurement of Pt's intrinsic catalytic ORR activity.
Article
Chemistry, Multidisciplinary
Nina S. S. Pappas, Jarad A. A. Mason
Summary: Control over the size, shape, uniformity, and external surface chemistry of metal-organic framework nanocrystals is crucial for various applications. In this study, the growth of anisotropic Co-2(dobdc) nanorods was investigated in the presence of monotopic modulators. The results showed that the nanorod diameter was strongly influenced by the acidity of the modulator and its incorporation into the nanorod structure. The study also achieved the preparation of sub-10 nm nanorods, which was previously difficult for the M-2(dobdc) family.
Article
Chemistry, Multidisciplinary
Rebecca L. Siegelman, Joshua A. Thompson, Jarad A. Mason, Thomas M. McDonald, Jeffrey R. Long
Summary: This study demonstrates the potential of the diamine-appended metal-organic framework ee-2-Mg-2(dobpdc) as a next-generation CO2 capture material for high-pressure natural gas purification. The material has a cooperative adsorption mechanism and can be easily regenerated with minimal changes in temperature or pressure. Water enhances the CO2 capture performance of the material by eliminating slip of CO2 before full breakthrough.
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)