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Development of Nanomaterials for Energy and Environmental Applications

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: 31 December 2024 | Viewed by 9416

Special Issue Editor

Dr. Lin Ju

E-Mail Website
Guest Editor
School of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000, China
Interests: photoelectrocatalysis; computational materials science; water-splitting; CO2 reduction reaction
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are delighted to introduce a new Special Issue titled "Development of Nanomaterials for Energy and Environmental Applications", which aims to showcase the latest advancements in nanotechnology that contribute to sustainable energy production and environmental protection.

As global energy demands continue to skyrocket and environmental concerns remain at the forefront of public discourse, the need for innovative solutions in these sectors becomes more pressing. Nanomaterials, with their unique properties at the atomic and molecular scale, offer potential breakthroughs in addressing these challenges. This Special Issue invites original research papers and reviews on the synthesis, characterization, and application of nanomaterials that demonstrate significant progress in energy conversion, storage, and efficiency, as well as pollution mitigation and environmental clean-up.

Topics of interest include, but are not limited to, the following:

  • Nanostructured materials for solar energy harvesting and photovoltaic systems;
  • Advances in nanomaterials for battery technology and energy storage solutions;
  • Catalytic nanomaterials for green energy production and emission reduction;
  • Nanoparticles for water purification and wastewater treatment technologies;
  • Nanotechnology in carbon capture, utilization, and storage;
  • Development of sensors based on nanomaterials for environmental monitoring;
  • Biodegradable and eco-friendly nanomaterials for environmental applications.

We invite researchers, engineers, and academics to contribute their cutting-edge findings and insights that can help to pave the way for a more energy-efficient and environmentally sustainable future.

Dr. Lin Ju
Guest Editor

Manuscript Submission Information

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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. Molecules 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 2700 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

  • photo/electrocatalytic mechanism studies
  • photo/electrocatalyst design
  • single atom catalyst
  • artificial photosynthesis
  • water splitting
  • N2 reduction reaction
  • NOx reduction reaction
  • CO2 reduction reaction
  • heterojunction

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Further information on MDPI's Special Issue polices can be found here.

Published Papers (9 papers)

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Research

Jump to: Review

13 pages, 3069 KiB  
Article
Sub-10 nm PdNi@PtNi Core–Shell Nanoalloys for Efficient Ethanol Electro-Oxidation
by Qian Su and Lei Yu
Molecules 2024, 29(20), 4853; https://doi.org/10.3390/molecules29204853 - 13 Oct 2024
Viewed by 721
Abstract
By controlling the structure and composition of Pt-based nanoalloys, the ethanol oxidation reaction (EOR) performances of Pt alloy catalysts can be effectively improved. Herein, we successfully synthesis sub-10 nm PdNi@PtNi nanoparticles (PdNi@PtNi NPs) with a core–shell structure by a one-pot method. The sub [...] Read more.
By controlling the structure and composition of Pt-based nanoalloys, the ethanol oxidation reaction (EOR) performances of Pt alloy catalysts can be effectively improved. Herein, we successfully synthesis sub-10 nm PdNi@PtNi nanoparticles (PdNi@PtNi NPs) with a core–shell structure by a one-pot method. The sub 10 nm core–shell nanoparticles possess more effective atoms and exhibit a synergistic effect which can lead to a shift in the d-band center and alter binding energies toward adsorbates. Due to the synergistic effect and unique core–shell structure, the PdNi@PtNi NP catalysts exhibit excellent electrocatalytic performance for ethanol oxidation reactions in alkaline, achieving 9.30 times more mass activity and 7.05 times more specific activity that of the state-of-the-art Pt/C catalysts. Moreover, the stability of PdNi@PtNi NPs was also greatly improved over PtNi nanoparticles, PtPd nanoparticles, and commercial Pt/C. This strategy provides a new idea for improving the electrocatalytic performance of Pt-based catalysts for EORs. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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16 pages, 14996 KiB  
Article
Vacancy Engineering of Selenium-Vacant NiCo2Se4 with Enhanced Electrochemical Performance for Supercapacitor
by Jianjian Fu, Lei Li, Qian Xue, Lindong Li, Zhiying Guo, Lanxiang Meng, Changwei Lai and Yao Guo
Molecules 2024, 29(19), 4580; https://doi.org/10.3390/molecules29194580 - 26 Sep 2024
Viewed by 528
Abstract
Vacancy engineering effectively modulates the electronic properties of electrode materials, thereby improving their electrochemical performance. In this study, we prepared selenium-deficient NiCo2Se4 (Sev-NCS) using ethylene glycol as a reducing agent in NaOH alkaline environment, and investigated its potential [...] Read more.
Vacancy engineering effectively modulates the electronic properties of electrode materials, thereby improving their electrochemical performance. In this study, we prepared selenium-deficient NiCo2Se4 (Sev-NCS) using ethylene glycol as a reducing agent in NaOH alkaline environment, and investigated its potential as an electrode material for supercapacitors. Both theoretical and experimental results confirmed that the introduction of vacancies altered the morphology and electronic structure of NiCo2Se4, which in turn synergistically improved the conductivity and the diffusion capability of electrolyte ions. The optimized Sev-NCS electrode achieved an excellent specific capacitance of 2962.7 F g−1 at a current density of 1 A g−1 and superior cycling stability with a capacitance retention of 89.5% even after 10,000 cycles. Furthermore, an asymmetric device composed of the optimized Sev-NCS electrode as the positive electrode and activated carbon as the negative electrode achieved an energy density of 55.6 Wh kg−1 at a power density of 800 W kg−1. Therefore, this work offers novel insights into the role of vacancy engineering in improving the performance of transition metal compound-based electrode materials for supercapacitor. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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14 pages, 5137 KiB  
Communication
Nickel–Molybdenum-Based Three-Dimensional Nanoarrays for Oxygen Evolution Reaction in Water Splitting
by Zhi Lu, Shilin Li, Yuxin Wang, Jiefeng Wang, Yifan Guo, Jiaqi Ding, Kun Tang, Yingzi Ren, Long You, Hongbo Meng and Guangxin Wang
Molecules 2024, 29(16), 3966; https://doi.org/10.3390/molecules29163966 - 22 Aug 2024
Viewed by 626
Abstract
Water splitting is an important approach to hydrogen production. But the efficiency of the process is always controlled by the oxygen evolution reaction process. In this study, a three-dimensional nickel–molybdenum binary nanoarray microstructure electrocatalyst is successfully synthesized. It is grown uniformly on Ni [...] Read more.
Water splitting is an important approach to hydrogen production. But the efficiency of the process is always controlled by the oxygen evolution reaction process. In this study, a three-dimensional nickel–molybdenum binary nanoarray microstructure electrocatalyst is successfully synthesized. It is grown uniformly on Ni foam using a hydrothermal method. Attributed to their unique nanostructure and controllable nature, the Ni-Mo-based nanoarray samples show superior reactivity and durability in oxygen evolution reactions. The series of Ni-Mo-based electrocatalysts presents a competitive overpotential of 296 mV at 10 mA·cm−2 for an OER in 1.0 M KOH, corresponding with a low Tafel slope of 121 mV dec−1. The three-dimensional nanostructure has a large double-layer capacitance and plenty of channels for ion transfer, which demonstrates more active sites and improved charge transmission. This study provides a valuable reference for the development of non-precious catalysts for water splitting. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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14 pages, 4743 KiB  
Article
Influence of Ca3(PO4)2 on the Surface Morphology and Properties of a CaO-Al2O3-SiO2-Fe2O3-Based High Temperature Phase Reconstructed Complex
by Huanyin Yang, Hongli Guo, Hongjuan Sun and Tongjiang Peng
Molecules 2024, 29(16), 3740; https://doi.org/10.3390/molecules29163740 - 7 Aug 2024
Viewed by 596
Abstract
In this study, a glaze slurry was prepared with different contents of tricalcium phosphate. It was then applied to a fly ash microcrystalline ceramic billet and sintered at 1180 °C for 30 min to prepare the complex. The aim was to obtain a [...] Read more.
In this study, a glaze slurry was prepared with different contents of tricalcium phosphate. It was then applied to a fly ash microcrystalline ceramic billet and sintered at 1180 °C for 30 min to prepare the complex. The aim was to obtain a high value-added application of fly ash in order to reduce environmental pollution. The study systematically investigated the influence of the Ca3(PO4)2 content on the crystal phase evolution, physical-mechanical properties, and micro-morphology of the complex. The results showed that products sintered at 1180 °C with 8 wt% Ca3(PO4)2 demonstrated better performance, with a water absorption of 0.03% and a Vickers microhardness of 6.5 GPa. Additionally, the study observed a strong correlation between the Ca3(PO4)2 content and the opacity effect. A feasible opacity mechanism was also proposed to explain the variation of glaze colors and patterns with different contents of Ca3(PO4)2. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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11 pages, 2739 KiB  
Article
Density Functional Theory Study of Triple Transition Metal Cluster Anchored on the C2N Monolayer for Nitrogen Reduction Reactions
by Shifa Xiao, Daoqing Zhang, Guangzhao Wang, Tianhang Zhou and Ning Wang
Molecules 2024, 29(14), 3314; https://doi.org/10.3390/molecules29143314 - 13 Jul 2024
Viewed by 1101
Abstract
The electrochemical nitrogen reduction reaction (NRR) is an attractive pathway for producing ammonia under ambient conditions. The development of efficient catalysts for nitrogen fixation in electrochemical NRRs has become increasingly important, but it remains challenging due to the need to address the issues [...] Read more.
The electrochemical nitrogen reduction reaction (NRR) is an attractive pathway for producing ammonia under ambient conditions. The development of efficient catalysts for nitrogen fixation in electrochemical NRRs has become increasingly important, but it remains challenging due to the need to address the issues of activity and selectivity. Herein, using density functional theory (DFT), we explore ten kinds of triple transition metal atoms (M3 = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) anchored on the C2N monolayer (M3-C2N) as NRR electrocatalysts. The negative binding energies of M3 clusters on C2N mean that the triple transition metal clusters can be stably anchored on the N6 cavity of the C2N structure. As the first step of the NRR, the adsorption configurations of N2 show that the N2 on M3-C2N catalysts can be stably adsorbed in a side-on mode, except for Zn3-C2N. Moreover, the extended N-N bond length and electronic structure indicate that the N2 molecule has been fully activated on the M3-C2N surface. The results of limiting potential screen out the four M3-C2N catalysts (Co3-C2N, Cr3-C2N, Fe3-C2N, and Ni3-C2N) that have a superior electrochemical NRR performance, and the corresponding values are −0.61 V, −0.67 V, −0.63 V, and −0.66 V, respectively, which are smaller than those on Ru(0001). In addition, the detailed NRR mechanism studied shows that the alternating and enzymatic mechanisms of association pathways on Co3-C2N, Cr3-C2N, Fe3-C2N, and Ni3-C2N are more energetically favorable. In the end, the catalytic selectivity for NRR on M3-C2N is investigated through the performance of a hydrogen evolution reaction (HER) on them. We find that Co3-C2N, Cr3-C2N, Fe3-C2N, and Ni3-C2N catalysts possess a high catalytic activity for NRR and exhibit a strong capability of suppressing the competitive HER. Our findings provide a new strategy for designing NRR catalysts with high catalytic activity and selectivity. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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12 pages, 6562 KiB  
Article
Synthesis of Fe2O3 Nanorod and NiFe2O4 Nanoparticle Composites on Expired Cotton Fiber Cloth for Enhanced Hydrogen Evolution Reaction
by Sun Hua, Sayyar Ali Shah, Noor Ullah, Nabi Ullah and Aihua Yuan
Molecules 2024, 29(13), 3082; https://doi.org/10.3390/molecules29133082 - 28 Jun 2024
Viewed by 801
Abstract
The design of cheap, noble-metal-free, and efficient electrocatalysts for an enhanced hydrogen evolution reaction (HER) to produce hydrogen gas as an energy source from water splitting is an ideal approach. Herein, we report the synthesis of Fe2O3 nanorods–NiFe2O [...] Read more.
The design of cheap, noble-metal-free, and efficient electrocatalysts for an enhanced hydrogen evolution reaction (HER) to produce hydrogen gas as an energy source from water splitting is an ideal approach. Herein, we report the synthesis of Fe2O3 nanorods–NiFe2O4 nanoparticles on cotton fiber cloth (Fe2O3-NiFe2O4/CF) at a low temperature as an efficient electrocatalyst for HERs. Among the as-prepared samples, the optimal Fe2O3-NiFe2O4/CF-3 electrocatalyst exhibits good HER performance with an overpotential of 127 mV at a current density of 10 mA cm−2, small Tafel slope of 44.9 mV dec−1, and good stability in 1 M KOH alkaline solution. The synergistic effect between Fe2O3 nanorods and NiFe2O4 nanoparticles of the heterojunction composite at the heterointerface is mainly responsible for improved HER performance. The CF is an effective substrate for the growth of the Fe2O3-NiFe2O4 nanocomposite and provides conductive channels for the active materials’ HER process. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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17 pages, 4862 KiB  
Article
The Synthesis, Structural Characterization, and DFT Calculation of a New Binuclear Gd(III) Complex with 4-Aacetylphenoxyacetic Acid and 1,10-Phenanthroline Ligands and Its Roles in Catalytic Activity
by Ying Liu, Xiao Tang, Xi-Hai Yan, Li-Hua Wang, Xi-Shi Tai, Mohammad Azam and Dong-Qiu Zhao
Molecules 2024, 29(13), 3039; https://doi.org/10.3390/molecules29133039 - 26 Jun 2024
Cited by 2 | Viewed by 1041
Abstract
A new binuclear Gd(III) complex, [Gd2(L)6(Phen)2]·4H2O, was synthesized via the reaction of gadolinium(III) nitrate hexahydrate, 4-acetylphenoxyacetic acid (HL), NaOH, and 1,10-phenanthroline (Phen) in a solution of water–ethanol (v:v = 1:1). The Gd(III) [...] Read more.
A new binuclear Gd(III) complex, [Gd2(L)6(Phen)2]·4H2O, was synthesized via the reaction of gadolinium(III) nitrate hexahydrate, 4-acetylphenoxyacetic acid (HL), NaOH, and 1,10-phenanthroline (Phen) in a solution of water–ethanol (v:v = 1:1). The Gd(III) complex was characterized using IR, UV–vis, TG-DSC, fluorescence, and single-crystal X-ray diffraction analyses. The results showed that the Gd(III) complex crystallizes in the triclinic system, space group P-1, and each Gd(III) ion was coordinated with two nitrogen atoms (N1, N2, or N1a, and N2a) from two Phen ligands and seven oxygen atoms (O1, O2, O7a, O9, O8, O8a, O10a, or O1a, O2a, O7, O8, O8a, O9a, and O10) from six L ligands, respectively, forming a nine-coordinated coordination mode. The Gd(III) complex molecules formed a one-dimensional chained and three-dimensional network structure via benzenering π-π stacking. The Hirschfeld surface analysis and the calculations of the electron density distributions of the frontier molecular orbitals of the Gd(III) complex were performed. The catalytic activities of the photocatalytic CO2 reduction and benzyl alcohol oxidation using the Gd(III) complex as a catalyst were performed. The results of the photocatalytic CO2 reduction showed that the yield and the selectivity of CO reached 41.5 μmol/g and more than 99% after four hours, respectively. The results of the benzyl alcohol oxidation showed that the yield of benzaldehyde was 45.7% at 120 °C with THF as the solvent under 0.5 MPa O2 within 2 h. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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Review

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35 pages, 7252 KiB  
Review
Recent Progress of Ion-Modified TiO2 for Enhanced Photocatalytic Hydrogen Production
by Dongqiu Zhao, Xiao Tang, Penglan Liu, Qiao Huang, Tingxian Li and Lin Ju
Molecules 2024, 29(10), 2347; https://doi.org/10.3390/molecules29102347 - 16 May 2024
Cited by 4 | Viewed by 2243
Abstract
Harnessing solar energy to produce hydrogen through semiconductor-mediated photocatalytic water splitting is a promising avenue to address the challenges of energy scarcity and environmental degradation. Ever since Fujishima and Honda’s groundbreaking work in photocatalytic water splitting, titanium dioxide (TiO2) has garnered [...] Read more.
Harnessing solar energy to produce hydrogen through semiconductor-mediated photocatalytic water splitting is a promising avenue to address the challenges of energy scarcity and environmental degradation. Ever since Fujishima and Honda’s groundbreaking work in photocatalytic water splitting, titanium dioxide (TiO2) has garnered significant interest as a semiconductor photocatalyst, prized for its non-toxicity, affordability, superior photocatalytic activity, and robust chemical stability. Nonetheless, the efficacy of solar energy conversion is hampered by TiO2’s wide bandgap and the swift recombination of photogenerated carriers. In pursuit of enhancing TiO2’s photocatalytic prowess, a panoply of modification techniques has been explored over recent years. This work provides an extensive review of the strategies employed to augment TiO2’s performance in photocatalytic hydrogen production, with a special emphasis on foreign dopant incorporation. Firstly, we delve into metal doping as a key tactic to boost TiO2’s capacity for efficient hydrogen generation via water splitting. We elaborate on the premise that metal doping introduces discrete energy states within TiO2’s bandgap, thereby elevating its visible light photocatalytic activity. Following that, we evaluate the role of metal nanoparticles in modifying TiO2, hailed as one of the most effective strategies. Metal nanoparticles, serving as both photosensitizers and co-catalysts, display a pronounced affinity for visible light absorption and enhance the segregation and conveyance of photogenerated charge carriers, leading to remarkable photocatalytic outcomes. Furthermore, we consolidate perspectives on the nonmetal doping of TiO2, which tailors the material to harness visible light more efficiently and bolsters the separation and transfer of photogenerated carriers. The incorporation of various anions is summarized for their potential to propel TiO2’s photocatalytic capabilities. This review aspires to compile contemporary insights on ion-doped TiO2, propelling the efficacy of photocatalytic hydrogen evolution and anticipating forthcoming advancements. Our work aims to furnish an informative scaffold for crafting advanced TiO2-based photocatalysts tailored for water-splitting applications. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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15 pages, 2297 KiB  
Review
A Review of the Effect of Defect Modulation on the Photocatalytic Reduction Performance of Carbon Dioxide
by Cheng Zuo, Xiao Tang, Haiquan Wang and Qian Su
Molecules 2024, 29(10), 2308; https://doi.org/10.3390/molecules29102308 - 14 May 2024
Viewed by 764
Abstract
Constructive defect engineering has emerged as a prominent method for enhancing the performance of photocatalysts. The mechanisms of the influence of defect types, concentrations, and distributions on the efficiency, selectivity, and stability of CO2 reduction were revealed for this paper by analyzing [...] Read more.
Constructive defect engineering has emerged as a prominent method for enhancing the performance of photocatalysts. The mechanisms of the influence of defect types, concentrations, and distributions on the efficiency, selectivity, and stability of CO2 reduction were revealed for this paper by analyzing the effects of different types of defects (e.g., metallic defects, non-metallic defects, and composite defects) on the performance of photocatalysts. There are three fundamental steps in defect engineering techniques to promote photocatalysis, namely, light absorption, charge transfer and separation, and surface-catalyzed reactions. Defect engineering has demonstrated significant potential in recent studies, particularly in enhancing the light-harvesting, charge separation, and adsorption properties of semiconductor photocatalysts for reducing processes like carbon dioxide reduction. Furthermore, this paper discusses the optimization method used in defect modulation strategy to offer theoretical guidance and an experimental foundation for designing and preparing efficient and stable photocatalysts. Full article
(This article belongs to the Special Issue Development of Nanomaterials for Energy and Environmental Applications)
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