4.6 Article

Storage of hydrogen as a guest of a nanoporous polymeric crystalline phase

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 12, Issue 20, Pages 5369-5374

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/b923173k

Keywords

-

Funding

  1. Ministero dell'Istruzione, dell'wUniversita e della Ricerca, of Regione Campania
  2. Regione Piemonte

Ask authors/readers for more resources

A mechanism of H-2 uptake, based on adsorption in the ordered cavities of nanoporous polymeric crystalline phases rather than on disordered amorphous polymeric surfaces, has been clearly established, for aerogels of syndiotactic polystyrene (s-PS) exhibiting the nanoporous delta phase. An ordered arrangement of the H-2 molecules is proven by FTIR spectra while the inclusion of H-2 is assessed by gravimetric measurements and molecular simulations.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Polymer Science

Planar Orientation and Transparency of Nanoporous-Crystalline Polymer Films

Baku Nagendra, Paola Rizzo, Christophe Daniel, Gaetano Guerra

Summary: The transparency of polymer films is influenced by the planar orientations of nanoporous-crystalline (NC) phases of sPS and PPO, with sPS and PPO exhibiting opposite behaviors. Improvements in transparency are observed when the chain axes of the NC phases are oriented parallel or perpendicular to the film plane for sPS and PPO, respectively.

MACROMOLECULES (2021)

Article Polymer Science

High diffusivity dense films of a nanoporous-crystalline polymer

Christophe Daniel, Paola Rizzo, Baku Nagendra, Antonietta Cozzolino, Gaetano Guerra

Summary: NC PPO films show higher guest uptake and diffusivity compared to other types of films, particularly with the orientation of their NC phases being perpendicular to the film plane. These properties make NC PPO films potentially useful for applications such as organic pollutant control, molecular separations, and molecular sensors.

POLYMER (2021)

Article Polymer Science

Fast uptake of organic pollutants from dilute aqueous solutions by nanoporous-crystalline PPO films with c-perpendicular orientation

Antonietta Cozzolino, Baku Nagendra, Paola Rizzo, Christophe Daniel, Gaetano Guerra

Summary: The ability of poly(2,6-dimethyl-1,4-phenylene)oxide (PPO) films to absorb organic pollutants dissolved in water is shown. The crystalline structure and orientation on the film surface play a significant role in determining the absorption efficiency.

EUROPEAN POLYMER JOURNAL (2022)

Article Chemistry, Multidisciplinary

Multireference Methods are Realistic and Useful Tools for Modeling Catalysis

Jenny G. Vitillo, Christopher J. Cramer, Laura Gagliardi

Summary: Highly correlated systems, especially those containing transition metals, are common in catalysis. Existing single determinantal methods using Kohn Sham density functional theory often fail to accurately account for the significant static correlation in such systems. Although more rigorous multiconfigurational methods have been applied in some specific cases, their use in catalysis remains limited. This paper discusses the obstacles hindering the routine application of multireference wave function theoretical calculations to catalytic systems and the current progress in overcoming these obstacles.

ISRAEL JOURNAL OF CHEMISTRY (2022)

Article Polymer Science

High Surface Area Nanoporous-Crystalline Polymer Films

Baku Nagendra, Antonietta Cozzolino, Christophe Daniel, Paola Rizzo, Gaetano Guerra

Summary: This study presents nano-porous-crystalline polymer films with a high surface area and fast organic pollutant uptakes, based on a commercially available thermoplastic polymer. These films exhibit much higher diffusivities for organic pollutant sorption and desorption compared to other high-diffusivity polymer films. These new high-SA polymer films are expected to find many applications due to their extremely fast kinetics of pollutant uptakes and high thermal and mechanical stability.

MACROMOLECULES (2022)

Article Polymer Science

c-perpendicular orientation in thin nanoporous-crystalline poly (2,6-dimethyl-1,4-phenylene)oxide films

Baku Nagendra, Christophe Daniel, Paola Rizzo, Gaetano Guerra

Summary: Four different preparation methods for nanoporous-crystalline films of PPO with high crystallinity and high c-perpendicular orientation, even for thickness as low as 5 μm, are described in this paper. The results support the hypothesis that the c-perpendicular orientation is due to the formation of flat-on crystalline lamellae through nanoconfined co-crystallization of PPO. An anomalous temperature dependence of c-perpendicular orientation for limonene-induced co-crystallization with PPO is also explained.

POLYMERS FOR ADVANCED TECHNOLOGIES (2022)

Article Multidisciplinary Sciences

The role of carbon capture, utilization, and storage for economic pathways that limit global warming to below 1.5°C

Jenny G. Vitillo, Matthew D. Eisaman, Edda S. P. Aradottir, Fabrizio Passarini, Tao Wang, Stafford W. Sheehan

Summary: According to the 2021 IPCC report, CO2 removal measures are necessary to achieve climate goals. The strategy to mitigate emissions should focus on sources that require the least energy and capital investment per ton of CO2, while favoring processes that yield high-value products.

ISCIENCE (2022)

Article Energy & Fuels

X-ray and Synchrotron FTIR Studies of Partially Decomposed Magnesium Borohydride

Rashmi Dahal, Jenny G. Vitillo, Anna C. Asland, Christoph Frommen, Stefano Deledda, Olena Zavorotynska

Summary: Magnesium borohydride (Mg(BH4)(2)) is a solid-state hydrogen storage compound that has high hydrogen densities and low operational temperature. This study used spectroscopic methods to investigate the reaction intermediates and provided additional insights into this decomposition reaction.

ENERGIES (2022)

Article Polymer Science

Polymorphism of poly(2,6-dimethyl-1,4-phenylene) oxide (PPO): Co-crystalline and nanoporous-crystalline phases

Finizia Auriemma, Christophe Daniel, Manohar Golla, Baku Nagendra, Paola Rizzo, Oreste Tarallo, Gaetano Guerra

Summary: This review focuses on relevant information about PPO crystallization, with a particular emphasis on nanoporous crystalline and co-crystalline forms. It discusses preparation methods, structures, properties, and applications of NC and CC samples, with a particular emphasis on the impressive solubility and diffusivity of organic guests in NC PPO samples. The study mainly examines films, especially axially oriented NC films, revealing their structural features and future research prospects.

POLYMER (2022)

Article Polymer Science

Linear hydrogen bonded aggregates of carboxylic acids in crystalline channels of syndiotactic polystyrene

Antonietta Cozzolino, Simone Pappalardo, Paola Rizzo, Gaetano Guerra

Summary: This study reports the sorption behavior of different crystalline forms of syndiotactic polystyrene (sPS) films towards long aliphatic carboxylic acids and dicarboxylic acids. The results show that the epsilon-form sPS film can selectively and rapidly adsorb these acids, while the delta-form sPS film can only sorb them from the amorphous phase.

POLYMER (2022)

Article Chemistry, Multidisciplinary

Green Oxidation of Carbon Black by Dry Ball Milling

Aida Kiani, M. Rosaria Acocella, Veronica Granata, Elisabetta Mazzotta, Cosimino Malitesta, Gaetano Guerra

Summary: This paper presents a sustainable and green method for producing highly oxidized carbon black using dry ball milling. The mechanical energy generated by colliding milling balls easily breaks and builds chemical bonds, resulting in new oxygenated functional groups. The method is environmentally friendly, requiring no solvents or additional reagents.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2022)

Article Biochemistry & Molecular Biology

Synthesis, Characterization, Fluorescence Properties, and DFT Modeling of Difluoroboron Biindolediketonates

Angelo Maspero, Federico Vavassori, Luca Nardo, Guglielmo Vesco, Jenny G. Vitillo, Andrea Penoni

Summary: We have developed a simple and efficient strategy to enhance the fluorescence of biocompatible biindole diketonates (bdks) in the visible spectrum through difluoroboronation. The fluorescence quantum yield is significantly increased, independent of indole substitutions, by stabilizing the excited state and reducing non-radiative decay rates. This stabilization enables significant O-1(2) photosensitized production.

MOLECULES (2023)

Article Materials Science, Multidisciplinary

Poly(phenylene oxide) Films with Hydrophilic Sulfonated Amorphous Phase and Physically Cross-Linking Hydrophobic Crystalline Phase

Baku Nagendra, Syed Salman, Hans Peter Bloch, Christophe Daniel, Paola Rizzo, Rosalba Fittipaldi, Gaetano Guerra

Summary: The study investigates the properties of sulfonated poly(phenylene oxide) (PPO) films with both hydrophilic amorphous phase and hydrophobic crystalline phase, achieved through solid-state film sulfonation. The semicrystalline-sulfonated PPO (SPPO) films exhibit superior hydrothermal and solvent stability compared to amorphous SPPO films. Moreover, the semicrystalline SPPO films demonstrate faster guest sorption kinetics due to the nanoporous-crystalline (NC) morphology.

ACS APPLIED POLYMER MATERIALS (2023)

Article Chemistry, Multidisciplinary

Hydrogen Bonded Dimer of an Alcohol with the Derived Carboxylic acid Triggering their Sorption by Nanoporous-crystalline PPO Films

Baku Nagendra, Antonietta Cozzolino, Maria Rosaria Acocella, Christophe Daniel, Paola Rizzo, Gaetano Guerra

Summary: Films of nanoporous-crystalline poly(2,6-dimethyl-1,4-phenylene) oxide (PPO) can absorb apolar organic guest molecules effectively and also polar molecules from concentrated organic solutions. When obtained by spontaneous oxidation of benzyl alcohol (BAL) in aqueous solution, benzyl alcohol and benzoic acid (BA) in a 1/1 hydrogen-bonded dimer can be greatly absorbed by the NC PPO films, which is unprecedented for absorbent materials. This ability to absorb the BAL/BA dimer can be utilized in water purification.

CHEMISTRY-A EUROPEAN JOURNAL (2023)

Article Materials Science, Multidisciplinary

Transparent and flexible high-surface area nanoporous crystalline PPO films

Baku Nagendra, Syed Salman, Christophe Daniel, Paola Rizzo, Gaetano Guerra

Summary: This study explores the influence of guest and processing conditions on the high surface area nanoporous-crystalline PPO films. The researchers found suitable preparation procedures that lead to high transparency and toughness, making them suitable for organic pollution remediation, molecular separations, and molecular sensing.

MATERIALS ADVANCES (2023)

Article Chemistry, Physical

Effect of a single methyl substituent on the electronic structure of cobaltocene studied by computationally assisted MATI spectroscopy

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

Polymer mechanochemistry: from single molecule to bulk material

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

Complex oiling-out behavior of procaine with stable and metastable liquid phases

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

Breaking the size constraint for nano cages using annular patchy particles

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

Effect of the charge rate on the mechanical response of composite graphite electrodes: in situ experiment and mathematical analysis

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

The effect of weak π-π interactions on single-molecule electron transport properties of the tetraphenylethene molecule and its derivatives: a first-principles study

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

Designed fabrication of MoS2 hollow structures with different geometries and the comparative investigation toward capacitive properties

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

Exploiting the photophysical features of DMAN template in ITQ-51 zeotype in the search for FRET energy transfer

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

Insights into the multi-functional lithium difluoro(oxalate)borate additive in boosting the Li-ion reaction kinetics for Li3VO4 anodes

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

New insights into the structure of the Ag(111)-p(4 x 4)-O phase: high-resolution STM and DFT study

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

ClO-driven degradation of graphene oxide: new insights from DFT calculations

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

Composition dependence of X-ray stability and degradation mechanisms at lead halide perovskite single crystal surfaces

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

Effect of porosity on rapid dynamic compaction of nickel nanopowder

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

The effect of temperature and oxygen partial pressure on the concentration of iron and manganese ions in La1/3Sr2/3Fe1-xMnxO3-δ

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

Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations

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)