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Nanomaterials
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Nanostructured Mesoporous and Zeolite-Based Materials
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Nanostructured Mesoporous and Zeolite-Based Materials

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Energy and Catalysis".

Deadline for manuscript submissions: closed (20 November 2023) | Viewed by 10184

Special Issue Editors

Prof. Dr. Margarita Popova

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Guest Editor
Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
Interests: synthesis and modification of mesoporous silicas; nanosized metal oxides; approaches for functionalization of mesoporous composites; valorization of biomass; VOCs oxidation; CO2 capture; drug delivery systems
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Hristiyan A. Aleksandrov

E-Mail Website
Guest Editor
Faculty of Chemistry and Pharmacy, University of Sofia, 1126 Sofia, Bulgaria
Interests: transition metal surfaces; nanoparticles and small clusters; complexes of transition metal ions; drug delivery systems; quantum chemical modelling of materials and catalysts
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The unique properties of mesoporous and zeolite-based nanomaterials predetermine their wide range of applications, from catalytic and adsorption processes to the development of new drug delivery systems. Modified mesoporous silicas, nanosized metal oxides, and hierarchical zeolites are successfully applied in the processes for environmental protection, such as VOCs oxidation and water purification, biomass valorization, and CO2 capture and utilization. The development of new nanostructured materials requires the application of a complex of routine and advanced physicochemical methods for their design.

This Special Issue aims to provide a forum for recent achievements in the synthesis and application of new nanomaterials. Experimental and theoretical studies on structure elucidation, adsorption, and catalytic processes in the presence of nanomaterials will be published.

We hope that this Special Issue will demonstrate the capabilities of nanomaterials and new directions in their application benefits.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following: synthesis, modification, and computational modeling of mesoporous silicas, nanosized metal oxides, zeolites, and their application.

We look forward to receiving your contributions.

Prof. Dr. Margarita Popova
Prof. Dr. Hristiyan A. Aleksandrov
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • mesoporous silicas
  • nanosized metal oxides
  • zeolites
  • hybrid zeolite/polymer, silica/polymer nanomaterials
  • green chemistry
  • modeling of zeolites

Related Special Issue

Published Papers (7 papers)

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Research

15 pages, 8901 KiB  
Article
Variation of the Orientations of Organic Structure-Directing Agents inside the Channels of SCM-14 and SCM-15 Germanosilicates Obtained by Ab Initio Molecular Dynamic Simulations
by Stoyan P. Gramatikov, Petko St. Petkov, Zhendong Wang, Weimin Yang and Georgi N. Vayssilov
Nanomaterials 2024, 14(2), 159; https://doi.org/10.3390/nano14020159 - 11 Jan 2024
Viewed by 696
Abstract
We report ab initio molecular dynamic simulations of the organic structure-directing agent (OSDA) in the channels of SCM-14 and SCM-15 germanosilicates for models with different germanium distribution. Since OSDA was free to move inside the channels, independent of its initial orientation after the [...] Read more.
We report ab initio molecular dynamic simulations of the organic structure-directing agent (OSDA) in the channels of SCM-14 and SCM-15 germanosilicates for models with different germanium distribution. Since OSDA was free to move inside the channels, independent of its initial orientation after the simulations in all structures the OSDA, protonated 4-pyrrolidinopyridine, is positioned almost perpendicular to the large channels of SCM-14. The structures obtained from the dynamic simulation are more stable by 157 to 331 kJ/mol than the structures obtained by initial geometry optimization. After simulations, the average distance between the N atom of the pyridine moiety of the OSDA and O from Ge-O-Ge is shorter by 0.2 Å than the same distance obtained from initial optimization. The stretching N-H frequencies in the IR spectra of the OSDA and other calculated vibrational frequencies are not characteristic of the orientation of the molecule and cannot be used to detect it. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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0 pages, 2806 KiB  
Article
Impact of Ce/Zr Ratio in the Nanostructured Ceria and Zirconia Composites on the Selective CO2 Adsorption
by Gloria Issa, Martin Kormunda, Oyundari Tumurbaatar, Ágnes Szegedi, Daniela Kovacheva, Daniela Karashanova and Margarita Popova
Nanomaterials 2023, 13(17), 2428; https://doi.org/10.3390/nano13172428 - 26 Aug 2023
Cited by 2 | Viewed by 1107
Abstract
High surface-area, mesoporous CeO2, ZrO2, and Ce-Zr composite nanoparticles were developed using the hydrothermal template-assisted synthesis method. Samples were characterized using XRD, N2 physisorption, TEM, XPS, and FT-IR spectroscopic methods. The CO2 adsorption ability of the obtained materials [...] Read more.
High surface-area, mesoporous CeO2, ZrO2, and Ce-Zr composite nanoparticles were developed using the hydrothermal template-assisted synthesis method. Samples were characterized using XRD, N2 physisorption, TEM, XPS, and FT-IR spectroscopic methods. The CO2 adsorption ability of the obtained materials was tested under dynamic and equilibrium conditions. A high CO2 adsorption capacity in CO2/N2 flow or CO2/N2/H2O was determined for all studied adsorbents depending on their composition flow. A higher CO2 adsorption was registered for Ce-Zr composite nanomaterials due to the presence of strong O2− base sites and enriched surface oxygen species. The role of the Ce/Zr ratio is the process of the formation of highly active and selective adsorption sites is discussed. The calculated heat of adsorption revealed the processes of chemisorption and physisorption. Experimental data could be appropriately described by the Yoon–Nelson kinetic model. The composites reused in five adsorption/desorption cycles showed a high stability with a slight decrease in CO2 adsorption capacities in dry flow and in the presence of water vapor. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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15 pages, 605 KiB  
Article
Water–Aluminum Interaction as Driving Force of Linde Type A Aluminophosphate Hydration
by Anže Hubman, Janez Volavšek, Tomaž Urbič, Nataša Zabukovec Logar and Franci Merzel
Nanomaterials 2023, 13(17), 2387; https://doi.org/10.3390/nano13172387 - 22 Aug 2023
Viewed by 876
Abstract
Linde type A (LTA) aluminophosphate is a promising candidate for an energy storage material used for low-temperature solar and waste-heat management. The mechanism of reversible water adsorption, which is the basis for potential industrial applications, is still not clear. In this paper, we [...] Read more.
Linde type A (LTA) aluminophosphate is a promising candidate for an energy storage material used for low-temperature solar and waste-heat management. The mechanism of reversible water adsorption, which is the basis for potential industrial applications, is still not clear. In this paper, we provide mechanistic insight into various aspects of the hydration process using molecular modeling methods. Building on accurate DFT calculations and available experimental data, we first refine the existing empirical force-field used in subsequent classical molecular dynamics simulations that captures the relevant physics of the water binding process. We succeed in fully reproducing the experimentally determined X-ray structure factors and use them to estimate the number of water molecules present in the fully hydrated state of the material. Furthermore, we show that the translational and orientational mobility of the confined water is significantly reduced and resembles the dynamics of glassy systems. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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16 pages, 4560 KiB  
Article
In Situ FTIR Spectroscopy for Scanning Accessible Active Sites in Defect-Engineered UiO-66
by Vera V. Butova, Videlina R. Zdravkova, Olga A. Burachevskaia, Andrei A. Tereshchenko, Pavletta S. Shestakova and Konstantin I. Hadjiivanov
Nanomaterials 2023, 13(10), 1675; https://doi.org/10.3390/nano13101675 - 18 May 2023
Cited by 4 | Viewed by 1699
Abstract
Three UiO-66 samples were prepared by solvothermal synthesis using the defect engineering approach with benzoic acid as a modulator. They were characterized by different techniques and their acidic properties were assessed by FTIR spectroscopy of adsorbed CO and CD3CN. All samples [...] Read more.
Three UiO-66 samples were prepared by solvothermal synthesis using the defect engineering approach with benzoic acid as a modulator. They were characterized by different techniques and their acidic properties were assessed by FTIR spectroscopy of adsorbed CO and CD3CN. All samples evacuated at room temperature contained bridging μ3-OH groups that interacted with both probe molecules. Evacuation at 250 °C leads to the dehydroxylation and disappearance of the μ3-OH groups. Modulator-free synthesis resulted in a material with open Zr sites. They were detected by low-temperature CO adsorption on a sample evacuated at 200 °C and by CD3CN even on a sample evacuated at RT. However, these sites were lacking in the two samples obtained with a modulator. IR and Raman spectra revealed that in these cases, the Zr4+ defect sites were saturated by benzoates, which prevented their interaction with probe molecules. Finally, the dehydroxylation of all samples produced another kind of bare Zr sites that did not interact with CO but formed complexes with acetonitrile, probably due to structural rearrangement. The results showed that FTIR spectroscopy is a powerful tool for investigating the presence and availability of acid sites in UiO-66, which is crucial for its application in adsorption and catalysis. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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21 pages, 6605 KiB  
Article
Curcumin and Capsaicin-Loaded Ag-Modified Mesoporous Silica Carriers: A New Alternative in Skin Treatment
by Ivalina Trendafilova, Ralitsa Chimshirova, Denitsa Momekova, Hristo Petkov, Neli Koseva, Penka Petrova and Margarita Popova
Nanomaterials 2022, 12(17), 3075; https://doi.org/10.3390/nano12173075 - 5 Sep 2022
Cited by 1 | Viewed by 1908
Abstract
Biologically active substances of natural origin offer a promising alternative in skin disease treatment in comparison to synthetic medications. The limiting factors for the efficient application of natural compounds, such as low water solubility and low bioavailability, can be easily overcome by the [...] Read more.
Biologically active substances of natural origin offer a promising alternative in skin disease treatment in comparison to synthetic medications. The limiting factors for the efficient application of natural compounds, such as low water solubility and low bioavailability, can be easily overcome by the development of suitable delivery systems. In this study, the exchange with the template procedure was used for the preparation ofa spherical silver-modified mesoporous silica nanocarrier. The initial and drug-loaded formulations are fully characterized by different physico-chemical methods. The incipient wetness impregnation method used to load health-promoting agents, curcumin, and capsaicin in Ag-modified carriers separately or in combinationresulted in high loading efficiency (up to 33 wt.%). The interaction between drugs and carriers was studied by ATR-FTIR spectroscopy. The release experiments of both active substances from the developed formulations were studied in buffers with pH 5.5, and showed improved solubility. Radical scavenging activity and ferric-reducing antioxidant power assays were successfully used for the evaluation of the antiradical and antioxidant capacity of the curcumin or/and capsaicin loaded on mesoporous carriers. Formulations containing a mixture of curcumin and capsaicin were characterized bypotentiation of their antiproliferative effect against maligning cells, and it was confirmed that the system for simultaneous delivery of both drugs has lower IC50 values than the free substances.The antibacterial tests showed better activity of the obtained delivery systems in comparison with the pure curcumin and capsaicin. Considering the obtained results, it can be concluded that the obtained delivery systems are promising for potential dermal treatment. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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13 pages, 6845 KiB  
Article
Atomic Layer Deposition of Cobalt Catalyst for Fischer–Tropsch Synthesis in Silicon Microchannel Microreactor
by Nafeezuddin Mohammad, Shyam Aravamudhan and Debasish Kuila
Nanomaterials 2022, 12(14), 2425; https://doi.org/10.3390/nano12142425 - 15 Jul 2022
Cited by 4 | Viewed by 1642
Abstract
In recent years, rising environmental concerns have led to the focus on some of the innovative alternative technologies to produce clean burning fuels. Fischer–Tropsch (FT) synthesis is one of the alternative chemical processes to produce synthetic fuels, which has a current research focus [...] Read more.
In recent years, rising environmental concerns have led to the focus on some of the innovative alternative technologies to produce clean burning fuels. Fischer–Tropsch (FT) synthesis is one of the alternative chemical processes to produce synthetic fuels, which has a current research focus on reactor and catalyst improvements. In this work, a cobalt nanofilm (~4.5 nm), deposited by the atomic layer deposition (ALD) technique in a silicon microchannel microreactor (2.4 cm long × 50 µm wide × 100 µm deep), was used as a catalyst for atmospheric Fischer–Tropsch (FT) synthesis. The catalyst film was characterized by XPS, TEM-EDX, and AFM studies. The data from AFM and TEM clearly showed the presence of polygranular cobalt species on the silicon wafer. The XPS studies of as-deposited and reduced cobalt nanofilm in silicon microchannels showed a shift on the binding energies of Co 2p spin splits and confirmed the presence of cobalt in the Co0 chemical state for FT synthesis. The FT studies using the microchannel microreactor were carried out at two different temperatures, 240 °C and 220 °C, with a syngas (H2:CO) molar ratio of 2:1. The highest CO conversion of 74% was observed at 220 °C with the distribution of C1–C4 hydrocarbons. The results showed no significant selectivity towards butane at the higher temperature, 240 °C. The deactivation studies were performed at 220 °C for 60 h. The catalyst exhibited long-term stability, with only ~13% drop in the CO conversion at the end of 60 h. The deactivated cobalt film in the microchannels was investigated by XPS, showing a weak carbon peak in the XPS spectra. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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13 pages, 3390 KiB  
Article
Role of Zirconia in Oxide-Zeolite Composite for Thiolation of Methanol with Hydrogen Sulfide to Methanethiol
by Tinglong Yang, Mengqin Yao, Jun Ma, Peng Chen, Tianxiang Zhao, Chunliang Yang, Fei Liu and Jianxin Cao
Nanomaterials 2022, 12(11), 1803; https://doi.org/10.3390/nano12111803 - 25 May 2022
Viewed by 1456
Abstract
In this paper, the molecular sieve NaZSM-5 was modified with zirconium dioxide (ZrO2) by a hydrothermal coating process and other methods. By comparing the effects of the crystal phase structure of ZrO2 and the compositing method on the physicochemical properties [...] Read more.
In this paper, the molecular sieve NaZSM-5 was modified with zirconium dioxide (ZrO2) by a hydrothermal coating process and other methods. By comparing the effects of the crystal phase structure of ZrO2 and the compositing method on the physicochemical properties and catalytic performance of the obtained composites, the structure–performance relationship of these composite catalysts was revealed. The results indicate that in the hydrothermal system used for the preparation of NaZSM-5, Zr4+ is more likely to dissolve from m-ZrO2 than from t-ZrO2, which can subsequently enter the molecular sieve, causing a greater degree of desiliconization of the framework. The larger specific surface area (360 m2/g) and pore volume (0.52 cm3/g) of the m-ZrO2/NaZSM-5 composite catalyst increase the exposure of its abundant acidic (0.078 mmol/g) and basic (0.081 mmol/g) active centers compared with other composites. Therefore, this catalyst exhibits a shorter induction period and better catalytic performance. Furthermore, compared with the impregnation method and mechanochemical method, the hydrothermal coating method produces a greater variety of acid–base active centers in the composite catalyst due to the hydrothermal modifying effect. Full article
(This article belongs to the Special Issue Nanostructured Mesoporous and Zeolite-Based Materials)
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