Article
Chemistry, Multidisciplinary
Feifei Zhang, Hua Shang, Li Wang, Yong Wang, Jiangfeng Yang, Yuanhua Xia, Hao Li, Libo Li, Jinping Li
Summary: TYUT-96Cr, a chromium-based metal-organic framework, shows exceptional N-2 adsorption selectivity and separation performance, effectively removing low concentration N-2 and enabling high-purity O-2 production, with great potential for industrial applications.
ADVANCED MATERIALS
(2021)
Article
Engineering, Chemical
Su-Tao Zheng, Run-Yuan Jiang, Yu Jiang, Shuang Ni, Guo-Wei Guan, Shou-Qiang Shao, Yi-Cheng Wang, Shao-Min Wang, Qing-Yuan Yang
Summary: By designing and synthesizing a series of metal-organic frameworks (MOFs) with different pore environments, successful separation of sulfur hexafluoride (SF6) and nitrogen (N2) was achieved, which has the potential to reduce greenhouse gas emissions and bring economic benefits to the semiconductor industry. Among them, Ni(3-mpba)2 showed excellent SF6 uptake capacity and the highest SF6/N2 selectivity. X-ray diffraction analysis and theoretical calculations revealed that introducing a methyl group into Ni(3-mpba)2 altered the microchemical environment of the pores, resulting in a smaller pore structure and more binding sites that enhance the affinity between SF6 and the adsorbent.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Hanbang Liu, Liping Yang, Danhua Yuan, Guangye Liu, Jiacheng Xing, Yunpeng Xu, Zhongmin Liu
Summary: This study reports two mixed-ligand metal-organic framework adsorbents with coordinatively unsaturated metal sites that can selectively adsorb oxygen over nitrogen at ambient temperature, showing high O-2/N-2 selectivity and regeneration ability.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Hilal Daglar, Ilknur Erucar, Seda Keskin
Summary: The study demonstrated that many MOF membranes exceeded the upper bound established for polymer membranes in terms of permeability and selectivity, while MOF/polymer MMMs showed higher O-2 permeability and O-2/N-2 selectivity compared to MMMS composed of traditional fillers.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Chemistry, Physical
Yong Tang, Jianhao Qiu, Dingliang Dai, Guanglu Xia, Lu Zhang, Jianfeng Yao
Summary: Defect engineering has been shown to improve the photocatalytic performance. This study investigated the use of defect-rich UiO-66-NH2 wrapped by ZnIn2S4 as a catalyst for photocatalytic H2O2 production. The defects in UiO-66-NH2 enhanced O-2 adsorption and charge separation, leading to higher H2O2 yield. The insights from this work can advance the research in defect engineering of MOFs and photocatalytic H2O2 synthesis.
CATALYSIS SCIENCE & TECHNOLOGY
(2024)
Article
Nanoscience & Nanotechnology
Ravindra Kumar Jha, Meenu Murali, Navakanta Bhat
Summary: The usability of triphenylene ligand-based metal-organic frameworks (MOFs) as gas sensing elements in chemiresistive devices was investigated, revealing that the ratio of metal ions directly influences the sensing capabilities, and rational variations in metal content can lead to the development of highly selective and sensitive sensors.
Article
Engineering, Environmental
Yaling Yan, Zenan Shi, Huilin Li, Lifeng Li, Xiao Yang, Shuhua Li, Hong Liang, Zhiwei Qiao
Summary: In this study, machine learning-assisted high-throughput computational screening techniques were used to identify the best materials for O-2/N-2 separation at room temperature. The importance of transition metal elements in MOFs for separation performance was highlighted. Thirteen top-performing MOFs were identified for dynamic O-2 adsorption from air, with design strategies such as regulating topology and alternating metal nodes and organic linkers showing potential to enhance MOF performance.
CHEMICAL ENGINEERING JOURNAL
(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, Chemical
Xuan Feng, Zikang Qin, Qiuxue Lai, Zhiyuan Zhang, Zhen-Wu Shao, Wenlei Tang, Wenjing Wu, Zhongde Dai, Chong Liu
Summary: Developing membranes with high gas separation performances for CO2 capture is desired. We synthesized a novel In(III)-MOF with chelating hydroxamate ligands, named SUM-9, which ensures structural stability, adding to the growing class of hydroxamate-based MOFs. SUM-9, along with its sister material SUM-1, was successfully incorporated into a series of Pebax 2533 based MMMs for CO2/N2 separation with controllable composition. Comparative study reveals that SUM-9 MMMs with only 1 wt% loading in Pebax 2533 exhibit significantly improved CO2 permeability (539 Barrer) and CO2/N2 selectivity (24.69) compared to pristine Pebax films and SUM-1 MMMs.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Yanshu Shi, Yi Xie, Hui Cui, Zeid A. Alothman, Osamah Alduhaish, Rui-Biao Lin, Banglin Chen
Summary: The study investigates a metal-organic framework called Cu-F-pymo for the separation of CO2 from fuel gases and flue gas in the chemical energy industry. Cu-F-pymo exhibits excellent size-sieving effect, selectively capturing CO2 over CH4 and N-2. The small pore size and oxygen moieties of Cu-F-pymo enable the exclusive diffusion of CO2 and enhance its binding affinity. The material demonstrates high selectivity, adsorption capacity, and dynamic CO2 capture capacity, making it a promising candidate for practical carbon capture applications.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
Miao Chang, Jiahao Ren, Qingyuan Yang, Dahuan Liu
Summary: A robust microporous calcium-based metal-organic framework (MOF) named SBMOF-1 was prepared for efficient CH4/N-2 separation, demonstrating high selectivity and adsorption capacity. The results suggest promising application of this Ca-MOF in natural gas purification.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Chemical
Shigen Shen, Feng Xu, Xin Chen, Guang Miao, Zhong Li, Xin Zhou, Xun Wang
Summary: This study reports the synthesis of a new metal-organic framework, dptz-CuGeF6, for efficient capture and separation of CO2 from flue gas or biomethane. The material exhibits narrow and uniform ultra-micropores and high selectivity towards CO2. It demonstrates excellent CO2 adsorption performance and stability. This research is of great significance for addressing CO2 capture and separation challenges.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Inorganic & Nuclear
Zhen-Zhen Xue, Yi-Lin Wang, Yue Zhang, Guang-Yu Fan, Song-De Han, Jie Pan
Summary: In this study, two isostructural Cu(I)-organic frameworks with hybrid layered structures and three-dimensional supramolecular frameworks were successfully synthesized. The prepared solids exhibited excellent chemical stability and sorption performance, making them promising adsorbents with high efficiency and selectivity.
INORGANIC CHEMISTRY
(2022)
Article
Engineering, Environmental
Xinjuan Zeng, Wei Zhou, Peizhang Zhou, Min Zhang, Cailong Zhou, Luxi Tan, Lin Wang
Summary: In this study, a leaf-like zeolitic imidazolate framework ZIF-L(Co) coated stainless steel mesh (ZIF-L(Co)@SSM) with superlyophobicity was fabricated through a simple one-pot method. By taking advantage of strong coordination interaction, the ZIF-L(Co)@SSM can be easily modified and achieve highly effective organic liquids separation with efficiency above 96%. This simple preparation route and excellent performance make the MOFs coated meshes suitable for various organic liquid separation practices.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Multidisciplinary Sciences
Zhaoqiang Zhang, Yinlin Chen, Kungang Chai, Chengjun Kang, Shing Bo Peh, He Li, Junyu Ren, Xiansong Shi, Xue Han, Catherine Dejoie, Sarah J. Day, Sihai Yang, Dan Zhao
Summary: Guest clusters in confined nanospaces have great influence on molecular recognition. Researchers have found that gas-cluster rearrangement can be systematically controlled to achieve tunable sorption and separation behavior in MOFs. By studying the packing geometries of CO2 and C2H2 clusters in CUK-1 material at different temperatures, they have successfully achieved high-purity separation of C2H2 using a one-step purification process.
NATURE COMMUNICATIONS
(2023)
Editorial Material
Thermodynamics
J. Ilja Siepmann, Elizabeth G. Rasmussen, Riccardo M. Swanepoel, Ardila H. Tiwikrama, Pedro Velho, Fufang Yang
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Thermodynamics
N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior, Haoyuan Chen, Nathaniel Tracy-Amoroso, Zhao Li, Yangzesheng Sun, Julia H. Merlin, J. Ilja Siepmann, Daniel W. Siderius, Randall Q. Snurr
Summary: Machine learning and data mining, together with molecular modeling, are powerful tools for materials discovery. We have compiled and made easily accessible a database that includes data from previous studies in MOFs and zeolites, as well as new data for N-2 and Ar adsorption. The database contains millions of simulated adsorption data points, textural properties, and structure files for over 160,000 MOFs and 286 zeolites. By providing this data publicly, we aim to facilitate machine learning studies on these materials and gain new insights on adsorption in MOFs and zeolites.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Chemistry, Multidisciplinary
Katherine E. McCullough, Daniel S. King, Saumil P. Chheda, Magali S. Ferrandon, Timothy A. Goetjen, Zoha H. Syed, Trent R. Graham, Nancy M. Washton, Omar K. Farha, Laura Gagliardi, Massimiliano Delferro
Summary: We screened 23 metals deposited onto the metal-organic framework NU-1000 and found that Cu-deposited NU-1000 showed the highest yield for propyne dimerization to hexadienes. The best-performing catalysts were characterized to have large Cu nanoparticles, supported by reaction mechanisms calculated with density functional theory (DFT). Our results demonstrate the strengths and weaknesses of the high-throughput experimentation (HTE) approach.
ACS CENTRAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Kaikai Ma, Yuk Ha Cheung, Kent O. O. Kirlikovali, Haomiao Xie, Karam B. B. Idrees, Xiaoliang Wang, Timur Islamoglu, John H. H. Xin, Omar K. K. Farha
Summary: Metal-organic frameworks (MOFs) are phosphatase-like nanozymes that can degrade organophosphate pesticides and nerve agents. A rapid synthesis method is developed to introduce Zr-MOF nanozyme coating into cellulose nanofibers, forming processable monolithic aerogel composites with high MOF loadings. This multifaceted rational design strategy enables efficient hydrolytic detoxification of organophosphorus-based nerve agent simulants and pesticides from contaminated water.
ADVANCED MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Lauren K. K. Macreadie, Karam B. B. Idrees, Courtney S. S. Smoljan, Omar K. K. Farha
Summary: Metal-organic frameworks (MOFs) are gaining rapid attention due to their high surface areas and ability to selectively separate component mixtures. Recent research on 3D-linker MOFs has shown outstanding capabilities for gas and hydrocarbon adsorption and separation. Widespread adoption of 3D-linkers in MOF synthesis is forecasted in the future.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Bhajan Lal, Karam B. B. Idrees, Haomiao Xie, Courtney S. S. Smoljan, Saman Shafaie, Timur Islamoglu, Omar K. K. Farha
Summary: We report the synthesis of a zinc-based MOF containing a three-dimensional (3D) linker, which shows high thermal stability for the separation of hexane isomers. The incorporation of the 3D linker enhances the structural stability and provides precise pore apertures/channels. This work represents a significant milestone in the construction of stable Zn-based MOFs and the incorporation of 3D linkers for challenging separations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Angel D. Cortes Morales, Nikolaos Diamantonis, Ioannis G. Economou, Cornelis J. Peters, J. Ilja Siepmann
Summary: The behavior of binary systems containing a low-boiling compound and a high-boiling compound near the critical point of the low-boiling compound can be unexpected. Increasing the pressure near the critical temperature of the low-boiling compound and for compositions rich in the low-boiling compound may result in the crossing of dew-point and bubble-point curves multiple times. This phenomenon, known as double retrograde vaporization, has implications in oil field operations and gas transport through pipelines, but the underlying reasons for its occurrence are not well understood. Monte Carlo simulations were conducted to provide molecular insights into the fluid properties associated with double retrograde vaporization using the united-atom version of the TraPPE force field for a methane/n-butane mixture.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Saumil Chheda, WooSeok Jeong, Nikita Hanikel, Laura Gagliardi, J. Ilja Siepmann
Summary: Atmospheric water harvesting using nanoporous sorbent materials has emerged as a potential solution for global water crisis. This study investigates the adsorption behavior of two high-performing metal-organic frameworks (MOFs), MOF-303 and MOF-333, through simulation. The results show that simulations with nonpolarizable force fields and rigid framework structures optimized using electronic structure calculations can achieve good agreement with experimental data, but for MOF-303, a structure accounting for the distortion associated with adsorbed water is necessary.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Enes Ibrahim Duden, Kubra Gurcan Bayrak, Mert Balkan, Niyaz Cakan, Arsen Demiroglu, Erhan Ayas, Mujdat Caglar, Servet Turan, Timur Islamoglu, Omar K. Farha, Mustafa Erkartal, Unal Sen
Summary: Metal-organic framework (MOF)-derived nanocarbons have been used as reinforcement phase in ceramic composites for the first time. The composite exhibits increased fracture toughness and room-temperature electrical conductivity compared to alumina monoliths. This study demonstrates the potential of MOF-derived nanocarbons for enhancing the mechanical and electrical properties of ceramic matrix composites.
ACS MATERIALS LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Julia G. Knapp, Maksim Y. Livshits, J. Connor Gilhula, Sylvia L. Hanna, Ida D. Piedmonte, Natalie T. Rice, Xingjie Wang, Benjamin W. Stein, Stosh A. Kozimor, Omar K. Farha
Summary: This study investigated the impact of linker identity and photoexcitation on the photocatalytic performance of uranyl-based MOFs. By analyzing the structural and photochemical properties of three uranyl-based MOFs, the study showed that the photophysical properties of linkers can be used to predict the photocatalytic behavior of uranyl-containing MOFs.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Review
Chemistry, Multidisciplinary
Saptasree Bose, Debabrata Sengupta, Thomas M. Rayder, Xiaoliang Wang, Kent O. Kirlikovali, Ali K. Sekizkardes, Timur Islamoglu, Omar K. Farha
Summary: Direct air capture of CO2 is a promising strategy to address global climate challenges, and metal-organic frameworks show great potential as adsorbents. However, improvements in adsorption efficiency and cost-effectiveness are needed for widespread deployment in DAC.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Editorial Material
Thermodynamics
J. Ilja Siepmann, John Sanders
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Materials Science, Multidisciplinary
Sylvia L. Hanna, Michael Barsoum, Tekalign Terfa Debela, Christos D. Malliakas, Madeleine A. Gaidimas, Julia G. Knapp, Kent O. Kirlikovali, Christopher H. Hendon, Vinayak P. Dravid, Omar K. Farha
Summary: We report the first complete reaction energy landscape of metal-organic framework (MOF) interpenetration, specifically in the phase transformation of NU-1200 to STA-26. The thermodynamics of this phase transformation were characterized through experiments paired with density functional theory (DFT) calculations. Time-resolved in situ X-ray diffraction and the Avrami-Erofe'ev model were used to monitor phase transformation reaction profiles and extract kinetic information. The results revealed slower phase change kinetics for MOFs with stronger bonds and a mechanistic model of partial dissolution for this phase transformation.
ACS MATERIALS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Zhihengyu Chen, Ching-Hwa Ho, Xiaoliang Wang, Simon M. Vornholt, Thomas M. Rayder, Timur Islamoglu, Omar K. Farha, Francesco Paesani, Karena W. Chapman
Summary: CALF-20, a metal-organic framework, shows selective CO2 physisorption. This study reveals that CALF-20 undergoes a structure transformation when exposed to humid environments, resulting in a new polymorph. The transformation is reversible, and the original structure can be regenerated. Computational evaluation indicates that the new polymorph has a higher CO2 heat of adsorption, potentially leading to improved CO2 sorption selectivity at low partial pressures.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Kaikai Ma, Dahee Jung, John J. Mahle, Sylvia L. Hanna, Timur Islamoglu, Isil Akpinar, Gregory W. Peterson, Omar K. Farha
Summary: Integrating metal-organic frameworks onto textile fibers enables the preparation of solid catalysts for practical protective applications such as the degradation of chemical warfare agents. Multiple variables that affect the catalytic activity and permeability of an MOF-polymer fiber composite have been systematically studied. Activation methods, MOF mass loadings, and MOF particle size are the most crucial parameters that affect the resulting composite.
CELL REPORTS PHYSICAL SCIENCE
(2023)