Article
Engineering, Environmental
Kevin S. Kencana, Hyun June Choi, K. Christian Kemp, Suk Bong Hong
Summary: Mesoporous Na-RHO and Cs-MER prepared by NH4F/H2O2 etching show significantly enhanced CO2 adsorption kinetics, which may be attributed to the creation of mesopores and the differences in zeolite crystal morphology.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Magdalena M. Lozinska, Sophie Jamieson, Maarten C. Verbraeken, David N. Miller, Bela E. Bode, Claire A. Murray, Stefano Brandani, Paul A. Wright
Summary: The flexibility of the zeolite Rho framework enables tunable molecular sieving for rapid CO2 adsorption at room temperature. Fully copper-exchanged forms exhibit open structures even after dehydration, with low occupancy of window sites allowing for quick CO2 uptake. Cu-Rho shows potential for producing pure methane from CO2/CH4 mixtures at the expense of weaker CO2 interaction compared to Na-Rho. Additionally, Cu,Na-Rho materials with >2 Cu cations per unit cell display enhanced performance in CO2/CH4 breakthrough tests, showing improved CO2/CH4 selectivity and uptake.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Energy & Fuels
Hedi Jedli, M. M. Almoneef, Mohamed Mbarek, Abdessalem Jbara, Khalifa Slimi
Summary: The aim of this research is to evaluate the adsorption isotherms and kinetics of CO2 on zeolite ZSM-5. The Langmuir model provided the best fit for CO2 adsorption, indicating that it is a spontaneous and exothermic process. The kinetics of CO2 adsorption on the adsorbent were found to be influenced by temperature and pressure. The results can be utilized in CO2 separation and adsorption system performance evaluation.
Article
Thermodynamics
Grace Neilsen, Matthew S. Dickson, Peter F. Rosen, Xin Guo, Alexandra Navrotsky, Brian F. Woodfield
Summary: Synthetic zeolites are widely used in industry for their porous frameworks, flexibility, and specific interactions with guest molecules. This study conducted heat capacity measurements on three partially dehydrated zeolite RHO samples to investigate their energetics. Different standard entropy and enthalpy values were observed at 298.15 K for these samples, indicating variations in their thermodynamic properties.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Chemistry, Physical
Elliott L. Bruce, Veselina M. Georgieva, Maarten C. Verbraeken, Claire A. Murray, Ming-Feng Hsieh, William J. Casteel, Alessandro Turrina, Stefano Brandani, Paul A. Wright
Summary: Small pore zeolites like merlinoite have high potential for selective CO2 adsorption. Na- and Cs-exchanged forms shift to narrow-pore form after dehydration, while K-form remains wide-pore. K- and Cs-forms show effects of CO2 adsorption on cation site distributions and framework configuration.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Applied
Kristina Chakarova, Mihail Mihaylov, Konstantin Hadjiivanov
Summary: Efficient CO2 capture is crucial for addressing current environmental issues. Porous materials, such as zeolites, show promise in this regard, but adsorption capacity remains a key concern. This study investigates CO2 adsorption on NaY zeolite using FTIR spectroscopy and reveals the formation of Na+ center dot center dot center dot O-C-O species at ambient temperature. The study also demonstrates the potential for simultaneous binding of two CO2 molecules to one cationic site, suggesting new possibilities for the design of high-capacity CO2 adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Engineering, Environmental
Tai T. T. Nguyen, Jian-Bin Lin, George K. H. Shimizu, Arvind Rajendran
Summary: This study measured the adsorption equilibrium of pure CO2 and N-2 on a hydrophobic metal-organic framework called CALF-20, using volumetric and gravimetric methods. The competitive adsorption of CO2 and N-2 and the column dynamics were also examined. The results showed that CALF-20 had comparable performance with benchmark materials zeolite 13X and UTSA-16 in capturing CO2 under specific conditions.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
Azam Jalali, Ali Ahmadpour, Mahboube Ghahramaninezhad, Elham Yasari
Summary: A new nanocomposite with enhanced CO2 adsorption capacity, thermal stability, and selectivity has been synthesized and studied. The nanocomposite showed a significant improvement in CO2 adsorption capacity compared to pristine UiO-66. It also exhibited good thermal stability and reversibility. This nanocomposite has potential applications in biogas and natural gas purification.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Engineering, Chemical
Sean M. W. Wilson
Summary: This study investigates the capture and concentration of CO2 from dry ambient air using temperature vacuum swing adsorption (TVSA) to produce high purity CO2. By controlling pressure and temperature, the concentration of the product can be increased, showing potential for valuable applications.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Physical
A. Mokhtari, M. Khatamian
Summary: In this study, MFI-type cobaltosilicates were successfully synthesized using a novel pretreatment method, with optimal crystallization conditions determined through investigation of various parameters. Characterization techniques including XRD, FT-IR, and UV-vis confirmed the formation of pure crystalline ZSM-5 zeolites and the incorporation of Co2+ ions into the zeolites' framework. The synthesized Na[Co]ZSM-5 zeolites showed comparable specific surface areas to aluminosilicate ZSM-5 zeolites, and demonstrated CO2 adsorption capacities of approximately 2.19 and 5.33 mmol g(-1) at 298 K and 1 bar for samples prepared at pH = 9.5 and 10.5, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Engineering, Environmental
Chongming Chen, Jinxing Yu, Guosheng Song, Kai Che
Summary: CO2 capture is a necessary option for carbon reduction, and adsorption-based CO2 capture technology provides a promising approach for lowering the energy cost of the mature amine-scrubbing method. Recent studies have focused on materials with high adsorption capacities, while overlooking desorption performance and the recovery of high purity CO2. In this study, four commercial zeolites were tested for CO2 capture from simulated flue gas, and 5 A zeolite was selected for systematic investigation of desorption behavior. A more practical temperature-swing procedure was proposed for desorption and regeneration of the material, achieving a CO2 stream with over 70% purity and 90% recovery in a single-stage adsorption.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Nikola L. Drenchev, Boris L. Shivachev, Lubomir D. Dimitrov, Konstantin I. Hadjiivanov
Summary: Efficient CO2 capture materials should have high adsorption capacity, suitable CO2 adsorption enthalpy, and resistance to water vapor. This study investigates the effect of water on CO2 adsorption and identifies various mixed ligand complexes formed in the presence of water. The results show that water in moderate amounts does not block CO2 adsorption sites. Evaluation: 8/10
Article
Engineering, Environmental
Hyun June Choi, Suk Bong Hong
Summary: This study compares the CO2 adsorption properties of gismondine zeolites with different Si/Al ratios, and finds that the framework Al content affects the adsorption mechanism of these small-pore zeolites. Zeolites with lower Si/Al ratios have hindrance in CO2 adsorption due to the large number of extra framework cations, while zeolites with higher Si/Al ratios achieve CO2 adsorption through cation gating and molecular sieving effects.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
D. G. Boer, Z. Asgar Pour, S. Poli, J. Langerak, B. Bakker, P. P. Pescarmona
Summary: This article investigates a novel core-shell zeolite with a ZSM-5 core and a Silicalite-1 shell, which combines high CO2 adsorption capacity with hydrophobicity, making it suitable for the adsorption of CO2 from water-containing streams.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Yuto Higuchi, Sana Miyagawa, Yasunori Oumi, Satoshi Inagaki, Shunsuke Tanaka
Summary: Organic structure-directing agent-free steam-assisted conversion and Cs+ ion exchange were used to transform faujasite(FAU)-type zeolite to the Cs+-type chabazite/phillipsite (CHA/PHI) composite zeolite. The Cs+-type CHA/PHI zeolite exhibited gate-opening CO2 adsorption behavior and good thermal stability compared to pure PHI-type zeolite. Mechanism for the gate-opening adsorption on CHA/PHI zeolite was elucidated through in situ powder X-ray diffraction (PXRD) and Fourier-transform infrared spectra of CO2 adsorption. The Cs+-type CHA/PHI zeolite showed high CO2/N-2 separation coefficient and selective CO2 capture ability.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Applied
A. Erigoni, M. C. Hernandez-Soto, F. Rey, C. Segarra, U. Diaz
Article
Chemistry, Physical
M. Jimenez-Ruiz, D. S. Gahle, T. Lemishko, S. Valencia, G. Sastre, F. Rey
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Multidisciplinary
Naoki Ogiwara, Hirokazu Kobayashi, Munehiro Inuka, Yusuke Nishiyama, Patricia Concepcion, Fernando Rey, Hiroshi Kitagawa
Article
Chemistry, Inorganic & Nuclear
Anna Nowacka, Rebecca Vismara, Giorgio Mercuri, Marco Moroni, Miguel Palomino, Kostiantyn Domasevitch, Corrado Di Nicola, Claudio Pettinari, Giuliano Giambastiani, Francesc X. Llabres i Xamena, Simona Galli, Andrea Rossin
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Andres Sala, Eduardo Perez-Botella, Jose L. Jorda, Angel Cantin, Fernando Rey, Susana Valencia
Summary: The study introduces a newly synthesized zeolite named ITQ-69 and evaluates its application as a selective adsorbent for light olefins/paraffins separations. Results show promising kinetic selectivity for light olefin separations in the C3 fraction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Applied
Raquel Simancas, Toshiki Nishitoba, Sungsik Park, Junko N. Kondo, Fernando Rey, Hermann Gies, Toshiyuki Yokoi
Summary: A novel metallosilicate zeolite with a tridirectional pore system of 8- and 10-ring channels was successfully fabricated by direct incorporation of B, Al and Ga into ITQ-52 zeolite using a phosphorus-containing organic structure-directing agent. The presence of phosphorus species stabilized the framework positions of Al or Ga and decreased the acidity of the zeolites, ultimately enhancing the catalytic performance in the MTO reaction. The addition of P in ITQ-52 improved the catalytic lifetime and the propene selectivity of the samples.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Joaquin Martinez-Ortigosa, Jorge Simancas, Jose A. Vidal-Moya, Fernando Rey, Susana Valencia, Teresa Blasco
Summary: The nature of organic structure directing agents plays a crucial role in determining the final properties of zeolites. The incorporation of tetrapropylphosphonium (TPP) as an OSDA in silicalite-1 zeolites leads to the formation of more defective sites compared to tetrapropylammonium (TPA). Advanced NMR techniques reveal that the presence of TPP influences the physico-chemical properties of zeolites by causing the formation of specific structural defects near the entrapped OSDA molecules.
APPLIED SCIENCES-BASEL
(2021)
Review
Chemistry, Multidisciplinary
Eduardo Perez-Botella, Susana Valencia, Fernando Rey
Summary: This review highlights the importance and relevance of zeolites in adsorption technology, covering their structure, composition, preparation, properties, as well as the fundamentals of adsorption science and their applications in chemical and energy production separations.
Article
Chemistry, Multidisciplinary
Eduardo Perez-Botella, Miguel Palomino, Gabriel B. Bafero, Heloise O. Pastore, Susana Valencia, Fernando Rey
Summary: The influence of framework topology on the separation of carbon dioxide from methane was studied in small pore pure silica zeolites with various structures. Pure silica materials were used to isolate the effect of framework topology. The results showed that materials with channel-like topology exhibited higher selectivity towards CO2 due to kinetic exclusion of methane. Si-ITW showed promising performance in CO2 separation, with high selectivity, diffusion rates, and moderate maximum capacity. It also had advantages over traditional zeolites in terms of energy requirements for regeneration and hydrophobicity.
JOURNAL OF CO2 UTILIZATION
(2023)
Article
Engineering, Environmental
Gabriela Grzybek, Magdalena Greluk, Piotr Patulski, Pawel Stelmachowski, Karolina Tarach, Grzegorz Slowik, Marek Rotko, Susana Valencia, Fernando Rey, Kinga Gora-Marek
Summary: The focus of the ongoing global energy transformation is on hydrogen production in the ethanol steam reforming (ESR) process. Researchers have successfully developed a cobalt catalyst based on the ZSM-5 zeolite support, and analyzed its performance using various physicochemical characterization methods and real-time UV-Vis and FT-IR spectroscopy studies in the ESR conditions. The influence of potassium introduction and the impact of zeolite acidity on the cobalt phase oxidation state were also investigated. The study results challenge the existing paradigm of low activity and stability of zeolite-based ESR catalysts, and provide hope for the development of competitive catalysts.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Christian W. Lopes, Joaquin Martinez-Ortigosa, Kinga Gora-Marek, Karolina Tarach, Jose A. Vidal-Moya, Antonio E. Palomares, Giovanni Agostini, Teresa Blasco, Fernando Rey
Summary: Supported silver species are promising catalysts for NH3-SCO, with silver clusters inactive while metal particles are active sites. Reduced silver species in different zeolite structures display varying stability and catalytic activities under oxidizing or reaction conditions at 400 degrees C. Specifically, silver clusters are stabilized in RHO-type zeolites and inactive in CHA-type zeolites for NH3-SCO reaction.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Physical
Maciej Strzempek, Karolina Tarach, Kinga Gora-Marek, Fernando Rey, Miguel Palomino, Susana Valencia, Witold Piskorz
Summary: The article presents the results of statistical MC modeling, FT-IR spectroscopy, and gravimetric adsorption studies of low aliphatic hydrocarbons in ZSM-5. The application of Dubbeldam's forcefield to zeolites containing aluminum is proposed and experimentally verified for sorption of linear and branched hydrocarbons. The FT-IR spectroscopy is successfully used to follow the kinetics of small hydrocarbon adsorption.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Jose L. L. Cerrillo, Christian W. W. Lopes, Fernando Rey, Giovanni Agostini, Lioubov Kiwi-Minsker, Antonio E. E. Palomares
CATALYSIS SCIENCE & TECHNOLOGY
(2020)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)