Article
Chemistry, Analytical
Yuanyuan Liu, Jiongjiang Liu, Qingjiang Pan, Kai Pan, Guo Zhang
Summary: The hollow In2O3 tubes derived from metal-organic framework (MOF) and two-dimensional (2D) thin sheets g-C3N4 exhibited significantly enhanced sensing performance for the selective detection of NOx at room temperature, with a high response value of 294.9 and a low detection limit of 2.9 ppb. The improved sensing performance was attributed to the heterojunction and synergistic effect between In2O3 tubes and thin sheets g-C3N4.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Chemistry, Medicinal
Lawson T. Glasby, Rama Oktavian, Kewei Zhu, Joan L. Cordiner, Jason C. Cole, Peyman Z. Moghadam
Summary: Augmented reality (AR) is an emerging technique that enhances visualization and understanding of complex 3D materials. It has applications in various fields such as chemistry, real estate, physics, and mechanical engineering. In this study, we demonstrate a workflow for an app-free AR technique that enables visualization of metal-organic frameworks (MOFs) and other porous materials to study their crystal structures, topology, and gas adsorption sites. This workflow can be a valuable tool for computational and experimental scientists in their research and educational endeavors.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Nanoscience & Nanotechnology
Susan E. Henkelis, Dayton J. Vogel, Peter C. Metz, Nichole R. Valdez, Mark A. Rodriguez, David X. Rademacher, Stephen Purdy, Stephen J. Percival, Jessica M. Rimsza, Katharine Page, Tina M. Nenoff
Summary: A series of rare earth metal-organic frameworks were explored for the selective adsorption of caustic acid gas species, revealing structural distortions under different reaction conditions and the impact of lanthanide ionic radii contraction on MOF structures; Scanning electron microscopy-energy-dispersive spectroscopy and neutron diffraction studies were used to investigate crystal growth stages of the RE-DOBDC MOFs, demonstrating distinct differences in binding energies.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Electrical & Electronic
Chii-Rong Yang, Po-Wen Cheng, Shih-Feng Tseng
Summary: This study synthesized Ti-MOF(TPA) and Ti-MOF(PMA) powders using a one-step hydrothermal method. The Ti-MOF(PMA) gas sensor showed higher dynamic response than the Ti-MOF(TPA) sensor. The responses of the Ti-MOF(PMA) gas sensors to NO2 at concentrations of 50, 100, 150, and 200 ppm were 6.4, 16.1, 35.6, and 48.5, respectively, at room temperature. The Ti-MOF(PMA) gas sensors exhibited excellent reproducibility and selectivity to NO2 compared to other gases at 100 ppm concentration.
SENSORS AND ACTUATORS A-PHYSICAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Fu-An Guo, Kang Zhou, Jiaqi Liu, Xingyu Li, Hao Wang
Summary: We present the self-assembly of a zirconium-based metal-organic framework with hexanuclear Zr-oxo clusters residing in its pore windows. The structure exhibits microporosity and has a higher affinity for xenon over krypton.
DALTON TRANSACTIONS
(2022)
Article
Energy & Fuels
Somayeh Norouzbahari, Zohreh Mehri Lighvan, Ali Ghadimi, Behrouz Sadatnia
Summary: An efficient hierarchical metal-organic framework (MOF), ZIF-8@Zn-MOF-74, with a core-shell structure and coordinately open/unsaturated metal sites (OMS), was successfully synthesized using a facile post-synthetic ligand exchange method. The core-shell structure consists of a SOD-type ZIF-8 core for molecular sieving and a Zn-MOF-74 shell with larger pore size for easier entrance and diffusion of gas molecules. The presence of OMS in the Zn-MOF-74 structure also contributes to a greater adsorption capacity. The prepared MOFs have a high BET surface area and total pore volume, making them promising for gas adsorption applications.
Article
Engineering, Chemical
Yong-Zhi Li, Rajamani Krishna, Fan Xu, Wan-Fang Zhang, Yanwei Sui, Lei Hou, Yao-Yu Wang, Zhonghua Zhu
Summary: In this study, a novel microporous Cd-MOF material was constructed with a high C2H2 adsorption capacity, which can efficiently separate C2H2 from gas mixtures. The experimental results and molecular simulation demonstrated the importance of this material in acetylene separation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Mirjam P. M. Poschmann, Oezge Alan, Sho Ito, Christian Naether, Gernot Friedrichs, Norbert Stock
Summary: Three new zirconium chelidamates, including a complex, a porous metal-containing hydrogen-bonded network (M-HOF), and a metal-organic framework (MOF), were synthesized and characterized. The structures were determined using various techniques and the sorption properties were investigated. These compounds exhibit high structural flexibility and stability in organic solvents. The M-HOF shows high selectivity towards water, while the MOF exhibits porosity towards multiple adsorbates.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Jiongjiang Liu, Yuanyuan Liu, Qingjiang Pan, Guo Zhang
Summary: In this study, a MIL-68(In)-derived hollow tubular In2O3 compound with reduced graphite oxide (r-GO) was synthesized and used for NOx detection. The In2O3/r-GO gas sensor showed superior performance in terms of response and recovery time compared to pure In2O3, with a higher response value (2761) and faster response/recovery time (210/36s) for 100 ppm NOx. The sensor also exhibited good selectivity and repeatability for NOx. The synergistic effect of In2O3 and r-GO, as well as the high surface area and electron transport capability of the composites, contributed to the enhanced gas-sensitive performance. The formed heterogeneous structure increased the chemisorbed oxygen content, further promoting the response value. Therefore, In2O3/r-GO gas sensors show promising applications for monitoring NOx.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Shashwat Srivastava, Sachin P. Shet, S. Shanmuga Priya, K. Sudhakar, Muhammad Tahir
Summary: Metal organic frameworks (MOFs) are widely used in adsorption and separation due to their porous nature and high surface area. In this study, hydrogen adsorption in four copper MOFs was analyzed using molecular simulation. The results showed that PCN-60 exhibited high hydrogen uptake at both 298 K and 77 K.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Chemical
Shing Bo Peh, Shamsuzzaman Farooq, Dan Zhao
Summary: This study investigates the feasibility of using a metal-organic framework adsorbent for CO2 capture and concentration from wet flue gas through simulation. The results show that the process can achieve high purity and recovery targets.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Jiongjiang Liu, Hongda Liu, Qingjiang Pan, Huanzhu Guang, Guo Zhang
Summary: In this study, Co/Zn-MOF and Co-MOF precursors were synthesized and 1CoOOH and 2-CoOOH nanosheets were formed through etching with sodium hydroxide solution. The gas-sensitive tests showed that 1-CoOOH exhibited better response to 100 ppm NOx and ethanol compared to 2-CoOOH, attributed to its higher specific surface area and abundance of oxygen vacancies.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Multidisciplinary
Francoise Amombo M. Noa, Ocean Cheung, Michelle ahlen, Elisabet Ahlberg, Priyanka Nehla, German Salazar-Alvarez, Soheil Ershadrad, Biplab Sanyal, Lars Ohrstrom
Summary: A manganese(II) metal-organic framework (MOF) was synthetized using hexatopic hexakis(4-carboxyphenyl)benzene as a building block. The MOF exhibited a large Langmuir area, rapid uptake of sulfur hexafluoride (SF6), as well as interesting electrochemical and magnetic properties. Single crystal diffraction studies revealed an unusual rod-MOF topology.
CHEMICAL COMMUNICATIONS
(2023)
Article
Engineering, Environmental
Sanjit Gaikwad, Yeonhee Kim, Ranjit Gaikwad, Sangil Han
Summary: A new method of modifying MOF-177 with amines was successfully used to enhance CO2 adsorption capacity at low pressure. TEPA-modified MOF-177 showed the largest improvement in CO2 adsorption capacity among the three amines studied.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Review
Chemistry, Multidisciplinary
Young-Moo Jo, Yong Kun Jo, Jong-Heun Lee, Ho Won Jang, In-Sung Hwang, Do Joon Yoo
Summary: In order to improve the performance of gas sensors and enhance the quality of life, the use of metal-organic frameworks (MOFs) as sensing materials has been explored. MOFs are known for their high surface area, porosity, and unique surface chemistry, making them promising for gas-sensor innovations. Various types of MOFs have been developed by studying their compositional and morphological dependences, and incorporating catalysts and light activation. Additionally, MOFs have multiple applications as molecular sieves, absorptive filtering layers, and heterogeneous catalysts due to their separation properties and catalytic activity.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Ceramics
Jessica M. Rimsza, Scott J. Grutzik, Reese E. Jones
Summary: Silica glass exhibits rate-dependent and irreversible processes during deformation and failure, with stress relaxation causing changes in defect concentration profile near the crack tip, potentially altering its properties in the inelastic region.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Dayton J. Vogel, Tina M. Nenoff, Jessica M. Rimsza
Summary: This study investigates the mechanisms of hydrogen isotope separation in barely porous organic cages (POCs) using ab initio molecular dynamics simulations. The results reveal that temperature and pore size have an impact on the separation process, and highly functionalized materials exhibit unique escape mechanisms for D-2 and H-2. Calculations of isotope velocities suggest that effective pore sizes may extend beyond the pore openings, and a restricted molecular behavior is observed in the barely nanoporous pore openings of highly functionalized POCs.
Article
Materials Science, Ceramics
Jessica M. Rimsza, Reese E. Jones
Summary: Reactive classical molecular dynamics simulations were used to analyze the fracture mechanisms at the molecular scale in sodium silicate glasses. The study found a correlation between crack propagation and energy dissipation, with systems exhibiting higher crack propagation showing less energy dissipation. The high sodium mobility near the crack tip enables energy dissipation without requiring the formation of structural defects.
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Jessica M. Rimsza, Susan E. Henkelis, Lauren E. S. Rohwer, Dorina F. Sava Gallis, Tina M. Nenoff
Summary: Metal-organic frameworks (MOFs) exhibit unique mechanisms of luminescence and can be structurally tuned for specific wavelength emission. This study presents a computational design method that elucidates the control mechanisms of luminescence properties in MOFs and validates the model through experiments.
ADVANCED OPTICAL MATERIALS
(2022)
Editorial Material
Materials Science, Multidisciplinary
Dale L. Huber
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Matthew S. Christian, Tina M. Nenoff, Jessica M. Rimsza
Summary: Rare-earth terephthalic acid (BDC)-based MOFs are potential materials for acid gas separation and adsorption. However, acid gases can react with BDC linkers to form protonated acid gases as a degradation mechanism. Gas-phase computational approaches were used to identify the formation energies of these acid gases. The design of stable MOFs for acid gas separation needs to balance adsorption performance with linker degradation.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Multidisciplinary Sciences
Jacob I. Deneff, Lauren E. S. Rohwer, Kimberly S. Butler, Bryan Kaehr, Dayton J. Vogel, Ting S. Luk, Raphael A. Reyes, Alvaro A. Cruz-Cabrera, James E. Martin, Dorina F. Sava Gallis
Summary: We demonstrate a design strategy for multiplexed, lifetime-encoded tags using intermetallic energy transfer in rare-earth metal-organic frameworks. This study reveals true orthogonality in encoding using independently variable lifetime and composition, highlighting the utility of this design strategy.
NATURE COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Matthew J. Hurlock, Matthew S. Christian, Keith J. Fritzsching, David X. Rademacher, Jessica M. Rimsza, Tina M. Nenoff
Summary: Through aging experiments, the long-term stability and degradation mechanism of porous liquids (PLs) based on the zeolitic imidazole framework ZIF-8 in a CO2 atmosphere were systematically examined. It was found that the PL remained stable for several weeks in N2 or air, but degradation and formation of a secondary phase occurred within 1 day when aged in a CO2 environment. The degradation was caused by the reaction between ethylene glycol in the PL and CO2, forming carbonate species that further degraded ZIF-8.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Andrea N. Zeppuhar, Devin S. Rollins, Dale L. Huber, Emmanuel A. Bazan-Bergamino, Fu Chen, Hayden A. Evans, Mercedes K. Taylor
Summary: This study presents a new synthetic approach to functionalize three-dimensional covalent organic frameworks. Through solid-state linkage transformations, the imine linkages of the framework were reduced to amine linkages, resulting in a more stable material ready for further functionalization. The functionalized COFs were tested for their ability to adsorb perfluoroalkyl substances (PFAS) from water, and it was found that the COF-300-dimethyl, functionalized with dimethylammonium groups, showed significantly improved adsorption performance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Agus R. Poerwoprajitno, Nitish Baradwaj, Manish Kumar Singh, C. Barry Carter, Dale L. Huber, Rajiv Kalia, John Watt
Summary: The use of transmission electron microscopy has proved to be valuable in understanding the behavior of nanomaterials. This study successfully tracked the structural and compositional changes in iron oxide nanoparticles using in-situ TEM, providing insights into the oxidation and reduction mechanisms.
JOURNAL OF PHYSICS-MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Min Chieh Yang, Devin S. Rollins, Dale L. Huber, Jou-Tsen Ou, Michael R. Baptiste, Andrea N. Zeppuhar, Fu Chen, Mercedes K. Taylor
Summary: Transition metals like cobalt are crucial for clean-energy technologies, and their global demand is expected to rise significantly. Adsorption of metal ions from water using porous organic polymers is a promising and energy-efficient method. By controlling the synthesis process, we created a series of high-capacity adsorbents for cobalt capture. The results provide design rules for the development of robust transition metal adsorbents.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Proceedings Paper
Engineering, Electrical & Electronic
Shruti I. Gharde, Mark V. Reymatias, Quang Tin Nguyen, Lillian N. Elam, Sergei A. Ivanov, John D. Watt, Dale L. Huber, Marek Osinski
Summary: This paper reports on the successful synthesis and characterization of lithium yttrium ytterbium fluoride nanocrystals. The nanocrystals emit in the near-infrared region and exhibit a wide emission spectrum. The study on the anti-Stokes photoluminescence suggests the potential use of these nanocrystals in optical cooling applications.
2022 IEEE 22ND INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (NANO)
(2022)
Article
Chemistry, Multidisciplinary
Matthew S. Christian, Keith J. Fritzsching, Jacob A. Harvey, Dorina F. Sava Gallis, Tina M. Nenoff, Jessica M. Rimsza
Summary: Rare-earth polynuclear metal-organic frameworks (RE-MOFs) have high durability for caustic acid gas adsorption and separation based on gas adsorption to the metal clusters. Recent studies suggest that fluorination of the metal clusters can significantly stabilize the RE-MOFs without changing their acid-gas adsorption properties.
Article
Chemistry, Multidisciplinary
Zichun Yan, Anish Chaluvadi, Sara FitzGerald, Sarah Spence, Christopher Bleyer, Jiazhou Zhu, Thomas M. Crawford, Rachel B. Getman, John Watt, Dale L. Huber, O. Thompson Mefford
Summary: In this study, the influence of manganese substitution on the saturation magnetization of manganese ferrite nanoparticles was investigated. Computational data showed a positive correlation between manganese content and saturation magnetization, while experimental data exhibited an inverse correlation. XRD and magnetometry results indicated that increasing manganese content led to a decrease in crystallite and magnetic diameter, explaining the loss of magnetization. HRTEM analysis confirmed the presence of manganese substitution induced crystal defects, highlighting the need to find methods to eliminate these defects for more reliable ferrite nanoparticles.
NANOSCALE ADVANCES
(2022)
