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Nanomaterials for Catalysis and Energy Storage: Design, Synthesis, and Molecular Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 7890

Special Issue Editors

Dr. Anderson Gabriel Marques Da Silva

E-Mail Website
Guest Editor
Departamento de Engenharia Química e de Materiais, Pontifícia Universidade Católica, Rio de Janeiro 22451-900, Brazil
Interests: controlled nanomaterials; electrocatalysis; plasmonics
Dr. Robert Wojcieszak

E-Mail Website
Guest Editor
University Lille, CNRS, Centrale Lille, University Artois, UMR 8181-UCCS-Unité de Catalyse et Chimie du Solide, F-59000 Lille, France
Interests: hybrid catalysis; nanomaterials; photocatalysis; biomass valorization; CO2 valorization; green oxidations; metallic nanoparticles
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Bojan A. Marinković

E-Mail Website
Guest Editor
Departamento de Engenharia Química e de Materiais, Pontifícia Universidade Católica, Rio de Janeiro 22451-900, Brazil
Interests: photocatalysis; nanomaterials; semiconductors; physical properties; crystallography; XRPD; thermal, optical, electrical and mechanical properties of materials

Special Issue Information

Dear Colleagues,

This Special Issue will highlight recent advances in nanomaterials for applications in all topics of heterogeneous catalysis (electrocatalysis, photocatalysis, biocatalysis, etc.) and energy storage (batteries and supercapacitors). It proposes to demonstrate how scientific findings may effectively contribute to an ecofriendly science and technology. This issue pursues contributions including basic and applied research, analytical studies, and simulation. We welcome researchers to submit original research, review, mini review, and perspective articles on themes including, but not limited to:

  • Synthesis of novel nanostructured noble-metal-based catalysts;
  • Synthesis of novel nanostructured non-noble catalysts;
  • Advanced shape-, size- and composition-controlled nanomaterials;
  • Computation-assisted nanocatalyst development;
  • Advanced characterizations of nanomaterials;
  • Nanomaterials for electrocatalysis;
  • Nanomaterials for photocatalysis;
  • Nanomaterials for biocatalysis;
  • Nanomaterials for biomass conversion;
  • Nanomaterials to tackle pollution (air, water, surfaces);
  • Nanomaterials for CO2 reduction;
  • Nanomaterials for petrochemistry;
  • Nanomaterials for supercapacitors;
  • Nanomaterials for batteries.

Dr. Anderson Gabriel Marques Da Silva
Dr. Robert Wojcieszak
Prof. Dr. Bojan A. Marinković
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • nanomaterials
  • controlled synthesis
  • theoretical simulation
  • electrocatalysis
  • photocatalysis
  • biocatalysis
  • batteries
  • supercapacitors

Published Papers (4 papers)

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Research

13 pages, 7401 KiB  
Article
Tetracycline Removal through the Synergy of Catalysis and Photocatalysis by Novel NaYF4:Yb,Tm@TiO2-Acetylacetone Hybrid Core-Shell Structures
by Lidija Mančić, Lucas A. Almeida, Tamires M. Machado, Jessica Gil-Londoño, Ivana Dinić, Miloš Tomić, Smilja Marković, Paula Jardim and Bojan A. Marinkovic
Int. J. Mol. Sci. 2023, 24(11), 9441; https://doi.org/10.3390/ijms24119441 - 29 May 2023
Viewed by 1431
Abstract
Novel hybrid core-shell structures, in which up-converting (UC) NaYF4:Yb,Tm core converts near-infrared (NIR) to visible (Vis) light via multiphoton up-conversion processes, while anatase TiO2-acetylacetonate (TiO2-Acac) shell ensures absorption of the Vis light through direct injection of excited [...] Read more.
Novel hybrid core-shell structures, in which up-converting (UC) NaYF4:Yb,Tm core converts near-infrared (NIR) to visible (Vis) light via multiphoton up-conversion processes, while anatase TiO2-acetylacetonate (TiO2-Acac) shell ensures absorption of the Vis light through direct injection of excited electrons from the highest-occupied-molecular-orbital (HOMO) of Acac into the TiO2 conduction band (CB), were successfully synthesized by a two-step wet chemical route. Synthesized NaYF4:Yb,Tm@TiO2-Acac powders were characterized by X-ray powder diffraction, thermogravimetric analysis, scanning and transmission electron microscopy, diffuse-reflectance spectroscopy, Fourier transform infrared spectroscopy, and photoluminescence emission measurement. Tetracycline, as a model drug, was used to investigate the photocatalytic efficiencies of the core-shell structures under irradiation of reduced power Vis and NIR spectra. It was shown that the removal of tetracycline is accompanied by the formation of intermediates, which formed immediately after bringing the drug into contact with the novel hybrid core-shell structures. As a result, ~80% of tetracycline is removed from the solution after 6 h. Full article
(This article belongs to the Special Issue Nanomaterials for Catalysis and Energy Storage: Design, Synthesis, and Molecular Applications)
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18 pages, 4349 KiB  
Article
Sustainable Cellulose Nanofibers-Mediated Synthesis of Uniform Spinel Zn-Ferrites Nanocorals for High Performances in Supercapacitors
by Lucas T. Teixeira, Scarllet L. S. de Lima, Taissa F. Rosado, Liying Liu, Hector A. Vitorino, Clenilton C. dos Santos, Jhonatam P. Mendonça, Marco A. S. Garcia, Rogério N. C. Siqueira and Anderson G. M. da Silva
Int. J. Mol. Sci. 2023, 24(11), 9169; https://doi.org/10.3390/ijms24119169 - 24 May 2023
Cited by 7 | Viewed by 1747
Abstract
Spinel ferrites are versatile, low-cost, and abundant metal oxides with remarkable electronic and magnetic properties, which find several applications. Among them, they have been considered part of the next generation of electrochemical energy storage materials due to their variable oxidation states, low environmental [...] Read more.
Spinel ferrites are versatile, low-cost, and abundant metal oxides with remarkable electronic and magnetic properties, which find several applications. Among them, they have been considered part of the next generation of electrochemical energy storage materials due to their variable oxidation states, low environmental toxicity, and possible synthesis through simple green chemical processing. However, most traditional procedures lead to the formation of poorly controlled materials (in terms of size, shape, composition, and/or crystalline structure). Thus, we report herein a cellulose nanofibers-mediated green procedure to prepare controlled highly porous nanocorals comprised of spinel Zn-ferrites. Then, they presented remarkable applications as electrodes in supercapacitors, which were thoroughly and critically discussed. The spinel Zn-ferrites nanocorals supercapacitor showed a much higher maximum specific capacitance (2031.81 F g−1 at a current density of 1 A g−1) than Fe2O3 and ZnO counterparts prepared by a similar approach (189.74 and 24.39 F g−1 at a current density of 1 A g−1). Its cyclic stability was also scrutinized via galvanostatic charging/discharging and electrochemical impedance spectroscopy, indicating excellent long-term stability. In addition, we manufactured an asymmetric supercapacitor device, which offered a high energy density value of 18.1 Wh kg−1 at a power density of 2609.2 W kg−1 (at 1 A g−1 in 2.0 mol L−1 KOH electrolyte). Based on our findings, we believe that higher performances observed for spinel Zn-ferrites nanocorals could be explained by their unique crystal structure and electronic configuration based on crystal field stabilization energy, which provides an electrostatic repulsion between the d electrons and the p orbitals of the surrounding oxygen anions, creating a level of energy that determines their final supercapacitance then evidenced, which is a very interesting property that could be explored for the production of clean energy storage devices. Full article
(This article belongs to the Special Issue Nanomaterials for Catalysis and Energy Storage: Design, Synthesis, and Molecular Applications)
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18 pages, 3990 KiB  
Article
Molecular Dynamics Approach to the Physical Mixture of In2O3 and ZrO2: Defect Formation and Ionic Diffusion
by Lorenzo E. Fornasari, Bruna J. da S. Bronsato, Lucia G. Appel and Roberto R. de Avillez
Int. J. Mol. Sci. 2023, 24(3), 2426; https://doi.org/10.3390/ijms24032426 - 26 Jan 2023
Cited by 1 | Viewed by 1921
Abstract
Recent research on the use of physical mixtures In2O3-ZrO2 has raised interesting questions as to how their combination enhances catalytic activity and selectivity. Specifically, the relationship between oxygen diffusion and defect formation and the epitaxial tension in the [...] Read more.
Recent research on the use of physical mixtures In2O3-ZrO2 has raised interesting questions as to how their combination enhances catalytic activity and selectivity. Specifically, the relationship between oxygen diffusion and defect formation and the epitaxial tension in the mixture should be further investigated. In this study, we aim to clarify some of these relationships through a molecular dynamics approach. Various potentials for the two oxides are compared and selected to describe the physical mixture of In2O3 and ZrO2. Different configurations of each single crystal and their physical mixture are simulated, and oxygen defect formation and diffusion are measured and compared. Significant oxygen defect formation is found in both crystals. In2O3 seems to be stabilized by the mixture, while ZrO2 is destabilized. Similar results were found for the ZrO2 doping with In and ln2O3 doping with Zr. The results explain the high activity and selectivity catalyst activity of the mixture for the production of isobutylene from ethanol. Full article
(This article belongs to the Special Issue Nanomaterials for Catalysis and Energy Storage: Design, Synthesis, and Molecular Applications)
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22 pages, 8193 KiB  
Article
Boosting the Photoelectrochemical Performance of Au/ZnO Nanorods by Co-Occurring Gradient Doping and Surface Plasmon Modification
by Ali Can Güler, Jan Antoš, Milan Masař, Michal Urbánek, Michal Machovský and Ivo Kuřitka
Int. J. Mol. Sci. 2023, 24(1), 443; https://doi.org/10.3390/ijms24010443 - 27 Dec 2022
Cited by 2 | Viewed by 2179
Abstract
Band bending modification of metal/semiconductor hybrid nanostructures requires low-cost and effective designs in photoelectrochemical (PEC) water splitting. To this end, it is evinced that gradient doping of Au nanoparticles (NPs) inwards the ZnO nanorods (NRs) through thermal treatment facilitated faster transport of the [...] Read more.
Band bending modification of metal/semiconductor hybrid nanostructures requires low-cost and effective designs in photoelectrochemical (PEC) water splitting. To this end, it is evinced that gradient doping of Au nanoparticles (NPs) inwards the ZnO nanorods (NRs) through thermal treatment facilitated faster transport of the photo-induced charge carriers. Systematic PEC measurements show that the resulting gradient Au-doped ZnO NRs yielded a photocurrent density of 0.009 mA/cm2 at 1.1 V (vs. NHE), which is 2.5-fold and 8-fold improved compared to those of Au-sensitized ZnO and the as-prepared ZnO NRs, respectively. The IPCE and ABPE efficiency tests confirmed the boosted photoresponse of gradient Au-incorporated ZnO NRs, particularly in the visible spectrum due to the synergistic surface plasmonic effect of Au NPs. A gradient Au dopant profile promoted the separation and transfer of the photo-induced charge carriers at the electrolyte interface via more upward band bending according to the elaborated electrochemical impedance spectroscopy and Kelvin probe force microscopy analyses. Therefore, this research presents an economical and facile strategy for preparing gradient plasmonic noble NP-incorporated semiconductor NRs, which have excellent potential in energy conversion and storage technologies. Full article
(This article belongs to the Special Issue Nanomaterials for Catalysis and Energy Storage: Design, Synthesis, and Molecular Applications)
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