Article
Chemistry, Multidisciplinary
Kyoung Chul Park, Preecha Kittikhunnatham, Jaewoong Lim, Grace C. Thaggard, Yuan Liu, Corey R. Martin, Gabrielle A. Leith, Donald J. Toler, An T. Ta, Nancy Birkner, Ingrid Lehman-Andino, Alejandra Hernandez-Jimenez, Gregory Morrison, Jake W. Amoroso, Hans-Conrad zur Loye, Dave P. DiPrete, Mark D. Smith, Kyle S. Brinkman, Simon R. Phillpot, Natalia B. Shustova
Summary: A novel series of heterometallic f-block-frameworks, including the first examples of transuranic heterometallic U-238/Pu-239-MOFs, and a novel monometallic Pu-239-analog, were reported. The kinetics and thermodynamics of heterometallic actinide-MOF formation were probed, with the first value of a U-to-Th transmetallation rate reported. Density of states, enthalpy of formation, band gap, proton affinity, and thermal/chemical stability were investigated as a function of metal ratios.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Athulya S. Palakkal, Renjith S. Pillai
Summary: The study accurately interpreted the interaction between greenhouse gases and metal organic frameworks, and explored the CO2 separation capability in the presence of moisture.
DALTON TRANSACTIONS
(2021)
Editorial Material
Green & Sustainable Science & Technology
Yaoxin Zhang, Swee Ching Tan
Summary: Consensus is needed to accurately evaluate the performance and potential of emerging water production technologies, and this article provides recommendations on how to achieve a fair basis for comparison and align research input with actual demand.
NATURE SUSTAINABILITY
(2022)
Article
Materials Science, Multidisciplinary
Chengjie Xiang, Fangfang Deng, Ruzhu Wang
Summary: This study develops a nanoporous carbon material with rapid water adsorption kinetics and excellent photothermal properties, achieving efficient passive atmospheric water harvesting. This method has the advantage of simplicity.
Article
Chemistry, Multidisciplinary
Corey R. Martin, Gabrielle A. Leith, Preecha Kittikhunnatham, Kyoung Chul Park, Otega A. Ejegbavwo, Abhijai Mathur, Cameron R. Callahan, Shelby L. Desmond, Myles R. Keener, Fiaz Ahmed, Shubham Pandey, Mark D. Smith, Simon R. Phillpot, Andrew B. Greytak, Natalia B. Shustova
Summary: Acquiring fundamental knowledge of properties of actinide-based materials is crucial for addressing challenges in nuclear energy and waste sectors. In this study, a correlation between photophysics and electronics in actinide-containing metal-organic frameworks was established for the first time, allowing for dynamic modulation of electronic properties. The construction of a photochromic MOF-based field-effect transistor demonstrated the potential for light-induced changes in current, enabling the operation of a fail-safe indicator circuit.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Fu-An Guo, Jing Wang, Cailing Chen, Xinglong Dong, Xingyu Li, Hao Wang, Peng Guo, Yu Han, Jing Li
Summary: Discrimination of physically similar molecules by porous solids is an important and challenging task in chemical separations. Metal-organic frameworks (MOFs) with precisely controlled pore dimension and tailored surface functionality are promising candidates for efficient separation. In this study, a microporous Zr-based MOF structure, HIAM-410, was synthesized and its exceptional stability and enhanced separation capability for hexane isomers were demonstrated.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Sebastian J. Weishaeupl, Yang Cui, Simon N. Deger, Hamad Syed, Aleksandr Ovsianikov, Juergen Hauer, Alexander Poethig, Roland A. Fischer
Summary: Multiphoton absorption (MPA) is of great interest in modern materials research, and metal-organic frameworks and coordination polymers (CPs) are potential materials to overcome the limitations of commonly used chromophore molecules. This article reports the synthesis and characterization of three new highly MPA-active CPs, and demonstrates their large two-photon absorption cross-sections, which are among the highest reported for CPs to date.
CHEMISTRY OF MATERIALS
(2022)
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)
Article
Multidisciplinary Sciences
Mohammad Aghajani Hashjin, Shadi Zarshad, Hosein Banna Motejadded Emrooz, Sadegh Sadeghzadeh
Summary: Adsorption-based atmospheric water harvesting is an effective solution to meet the growing global water demand. The study demonstrates that MOF-801 synthesized using the green method has higher specific surface area and better adsorption performance compared to the solvothermal method. It can maintain a high water adsorption capacity under different humidity conditions and exhibits good thermal stability and long-term effectiveness.
SCIENTIFIC REPORTS
(2023)
Article
Engineering, Environmental
Tianhao Yu, Qiong Cai, Guoping Lian, Yinge Bai, Xiaochun Zhang, Xiangping Zhang, Lei Liu, Suojiang Zhang
Summary: The study of using ionic liquids encapsulated metal-organic frameworks ZIF-8 for CO2/CH4 separation mechanisms revealed that the original aperture configuration achieved the best separation performance, and the addition of ILs prevented large swing of the apertures. Furthermore, the effect of IL viscosity on the aperture configuration was investigated, showing that higher IL viscosity stabilized the original aperture configuration.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Yuecheng Wang, Yujie Ban, Ziyi Hu, Weishen Yang
Summary: Highly compact metal-organic framework (MOF) membranes show promise in tackling challenging separation scenarios with industrial implications. Through a chemical self-conversion process, a continuous layer of layered double hydroxide (LDH) nanoflakes on an alumina support can transform into a MIL-53 membrane, resulting in highly compact architecture. This membrane can effectively dehydrate formic acid and acetic acid solutions and maintain stability in a corrosive chemical environment with a pH as low as 0.81. The energy consumption is significantly reduced compared to traditional distillation, saving up to 77%.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Multidisciplinary
Oksana Smirnova, Subham Ojha, Ankita De, Andreas Schneemann, Frederik Haase, Alexander Knebel
Summary: This article discusses the current state of reticular chemistry in the synthesis of highly porous nanomaterials for gas separation, with a focus on membrane technology. It explores the design of narrow pore windows for high-resolution molecular sieving and presents promising concepts such as neat materials and mixed matrix membranes. The article sheds light on the potential use of reticular materials as membrane components and provides strategies and guiding principles for the future development of reticular nanomaterials-based membranes.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yuecheng Wang, Yujie Ban, Ziyi Hu, Yang Zhao, Mingyuan Zheng, Weishen Yang, Tao Zhang
Summary: A new metal-organic framework membrane with hetero-lattice intergrowth has been developed, showing high efficiency in water/polyol separation and demonstrating a close-knit structure and excellent stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Jacob I. Deneff, Kimberly S. Butler, Lauren E. S. Rohwer, Charles J. Pearce, Nichole R. Valdez, Mark A. Rodriguez, Ting S. Luk, Dorina F. Sava Gallis
Summary: This study presents a design strategy to encode multilayer complexity in a family of heterometallic rare-earth metal-organic frameworks, achieving overt and covert properties and validating tag authentication. It demonstrates the impact of subtle compositional changes on photophysical properties. This strategy can be widely used to create a large library of highly complex and difficult-to-counterfeit optical tags.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Materials Science, Multidisciplinary
Sara Aleid, Mengchun Wu, Renyuan Li, Wenbin Wang, Chenlin Zhang, Lianbin Zhang, Peng Wang
Summary: This study discovers for the first time that the salting-in effect of a zwitterionic hydrogel can facilitate water vapor sorption by hygroscopic salt, leading to enhanced swelling capacity and performance of the sorbent. Experimental and theoretical calculations confirmed this salting-in effect. The study also demonstrated a solar energy-driven atmospheric water harvesting process using a photothermal component integrated into the sorbent.
ACS MATERIALS LETTERS
(2022)
Article
Multidisciplinary Sciences
Omid T. Qazvini, Ravichandar Babarao, Shane G. Telfer
Summary: Researchers present a metal-organic framework adsorbent, MUF-16, that efficiently captures CO2 over other competing gases with high selectivity. This adsorbent enables high-purity gas separation under dynamic conditions, making it suitable for the purification of natural gas and industrial feedstocks.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Muhammad Waqas Khan, Bao Yue Zhang, Kai Xu, Md Mohiuddin, Azmira Jannat, Farjana Haque, Turki Alkathiri, Naresha Pillai, Yichao Wang, Syed Zahin Reza, Jing Li, Xavier Mulet, Ravichandar Babarao, Nasir Mahmood, Jian Zhen Ou
Summary: Plasmonic MOFs, enabled by noble metal nanostructures, are a promising class of MOF nanocomposites with high solar light-harvesting efficiency. This study introduces a novel plasmonic MOF nanocomposite with an ultra-thin degenerately doped molybdenum oxide core and a flexible iron MOF shell, exhibiting low cost, easy synthesis, and non-toxicity. The incorporation of plasmonic oxides in the highly porous MOF structure enhances visible light absorbability, improving photobleaching performance of various dyes and gas sensing capabilities. This work expands the potential applications of plasmonic MOF nanocomposites in solar energy harvesting, environmental remediation, and monitoring.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Lauren K. Macreadie, Omid T. Qazvini, Ravichandar Babarao
Summary: Effective solid-state adsorbent materials, like metal organic frameworks (MOFs), rely on tailored void spaces for selective adsorption. The study explores the selectivity path between planar and 3D-linkers in MOFs and their preference for adsorbing either cyclohexane or benzene. MOF-5 shows a surprising preference for cyclohexane, while CUB-5 and 3DL-MOF-1 are selective for benzene.
ACS APPLIED MATERIALS & INTERFACES
(2021)
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
Chemistry, Multidisciplinary
Subhajit Dutta, Soumya Mukherjee, Omid T. Qazvini, Arvind K. Gupta, Shivani Sharma, Debanjan Mahato, Ravichandar Babarao, Sujit K. Ghosh
Summary: By utilizing a series of square lattice topology metal-organic frameworks, efficient separation of C2H2 from industrial C2-C1 impurities has been achieved, introducing a new crystal engineering blueprint for designing C2H2-selective layered metal-organic physisorbents.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Energy & Fuels
Ambedkar Balraj, Arun Prasad Chandra Sekaran, Nagarajan Ramamurthy, Ravichandar Babarao, Krishna Kumar Nagarajan, Shriram Arumugam Mayilvahanan
Summary: PCCC based on chemical absorption is a mature technology with challenges in solvent regeneration energy. Research focuses on improving solvent absorption capacity and reducing pressure. Ultrasonics show potential in reducing energy demand and improving operational conditions.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2022)
Article
Polymer Science
N. Shiva Prasad, Ravichandar Babarao, Srinivasan Madapusi, Sundergopal Sridhar, Namita Roy Choudhury, Suresh K. Bhargava
Summary: This study focuses on the effects of residual solvents on the physical morphology and separation characteristics of polyamide-imide membranes. Experimental and simulation techniques were used to understand the interactions between polymers and solvents, as well as to investigate the resulting membrane morphology. The study found that Torlon membranes synthesized with residual DMAc solvent exhibited higher ideal selectivity and lower diffusion coefficient for CO2/CH4 separation.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Chemistry, Physical
Muhammad Waqas Khan, M. Munir Sadiq, Karuppasamy Gopalsamy, Kai Xu, Azmira Jannat, Bao Yue Zhang, Md Mohiuddin, Muhammad Haris, Rui Ou, Sanjida Afrin, Turki Alkathiri, Suraj Loomba, Xavier Mulet, Nasir Mahmood, Ravichandar Babarao, Jian Zhen Ou
Summary: Metal-organic frameworks (MOFs) are considered promising candidates for gas sensing applications, with hetero-metallic MOFs showing enhanced room temperature NO2 sensing performances through partial metal replacement. This work demonstrates the strong potential of carefully engineered hetero-metallic MOFs for power-saving and high-performance gas sensing applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Thangjam Ibomcha Singh, Ashakiran Maibam, Dun Chan Cha, Sunghoon Yoo, Ravichandar Babarao, Sang Uck Lee, Seunghyun Lee
Summary: Introducing amorphous and ultrathin nanosheets of transition bimetal phosphate arrays as shells over an electronically modulated crystalline core can enhance the kinetics of the oxygen evolution reaction and hydrogen evolution reaction. The optimized electrocatalyst exhibits low overpotentials for both reactions and demonstrates remarkable overall water-splitting activity when used as both anode and cathode.
Article
Chemistry, Physical
Ashakiran Maibam, Ravichandar Babarao, Sailaj A. Krishnamurty
Summary: This study explores the electrocatalytic nitrogen fixation on vanadium dichalcogenides (VX2) with non-metal dopants under ambient conditions. The interface chemistry, electronic properties, and synergistic effects of the non-metal dopants on VX2 are investigated, with a focus on several non-metal atoms as catalytic centers. Boron and carbon doped VX2 monolayers are found to be electrocatalytically active for nitrogen reduction reaction (NRR), as evidenced by their efficacity in N2 chemisorption and N-N bond activation. The thermodynamic favourability for product formation, determined by Gibbs free energy differences, plays a pivotal role in the NRR mechanism. Charge transfer, pi-pi* orbital hybridization, and electron donor-acceptor mechanism between the non-metal and N2 are found to modulate the electrocatalytic barrier for NRR on VX2 monolayers. This study proposes boron doped VS2 as an environmentally friendly and efficient electrocatalyst for NRR, with a low overpotential of 0.06 eV.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Ashakiran Maibam, Sailaja Krishnamurty, Ravichandar Babarao
Summary: Density Functional Theory (DFT) investigation was conducted on Al-based catalysts to study their electronic properties and catalytic efficacy for nitrogen reduction at ambient condition. The Al-based catalysts were modulated to perform as highly efficient Ru-single atom catalytic centers. The coalescence of band-center, work function and electronic properties in metal atom catalysts, along with N-N bond activation, play a crucial role in achieving an efficient nitrogen reduction reaction. Detailed analysis was performed on factors such as electron localization function, Projected Density of States (PDOS), Bader charge analysis, and electronic analysis of intermediates to understand the mechanism of nitrogen reduction.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Chemical
Mangaleswari Santhosh Kumar, Ambedkar Balraj, Ramamurthy Nagarajan, Ravichandar Babarao
Summary: This study investigates the enhancement of high-frequency ultrasound assisted solvent regeneration/CO2 stripping process using hydrophobic micronized particles. It shows that the addition of 0.005 wt% micronized particles can significantly reduce the solvent's sensible energy requirements and increase the CO2 stripping rate.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Emily Massahud, Heba Ahmed, Ravichandar Babarao, Yemima Ehrnst, Hossein Alijani, Connie Darmanin, Billy J. Murdoch, Amgad R. Rezk, Leslie Y. Yeo
Summary: This study demonstrates that defects can be engineered into ZIF-8 crystals by coupling high frequency hybrid surface and bulk acoustic waves and applying acoustic radiation pressure and hydrodynamic stresses. The diffusion of guest molecules into the material's pores is enhanced, leading to expansion of the pore framework and the creation of dangling-linker and missing-linker defects. The technology is also shown to be practical for solvent-assisted ligand exchange without compromising the framework porosity or crystal structure.
Article
Energy & Fuels
Krishna Kumar Nagarajan, Ambedkar Balraj, Ramamurthy Nagarajan, Ravichandar Babarao
Summary: This experimental study investigated the stripping of CO2 from 30% MEA solvent using tank-type sonication at low temperatures. The results showed that sonication had a significant impact on the stripping rate of CO2, with higher rates observed at lower temperature setpoints.
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS
(2023)
