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Adsorption Materials and Adsorption Behavior: 3rd Edition
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Adsorption Materials and Adsorption Behavior: 3rd Edition

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 30 July 2025 | Viewed by 4075

Special Issue Editor

Prof. Dr. Jun Wang

E-Mail Website
Guest Editor
Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001, China
Interests: adsorption; marine antifouling; energy materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Adsorption is the adhesion of gases, vapors, or solutes in solutions to the surface of solid or liquid substances, and can be categorized as physical or chemical based on the nature of the binding force between the adsorbate and the adsorbent. The driving force of physical adsorption is intermolecular force, while that of chemical adsorption is the chemical bonds between the adsorbate and the adsorbent. Physical and chemical adsorption are not isolated, but often occur together.

Adsorption has been widely used in applications such as the removal of heavy metal ions from water, the recovery and extraction of various resources, and the removal of toxic and harmful gases. The key to the application of adsorption technology is the selection and design of adsorption materials; common examples of these include carbon materials, metal–organic frameworks, polymer materials, gels, metals, and nonmetallic compounds. The adsorption behavior of materials can be affected by many factors pertaining to the adsorbate and the chemical properties of the adsorbents. The study of adsorption mechanisms is also crucial to improving adsorption efficiency.

We are pleased to invite authors to contribute original articles or reviews to this Special Issue, which aims to present studies on the microstructural design of adsorption materials, molecular behavior on the surfaces of the materials, and the related adsorption mechanisms.

Prof. Dr. Jun Wang
Guest Editor

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

  • adsorption
  • adsorption materials
  • adsorption behavior
  • adsorption mechanisms
  • adsorption thermodynamics and kinetics
  • resource extraction
  • pollutant removal
  • separation

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Published Papers (4 papers)

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20 pages, 8285 KiB  
Article
Modified Urtica dioica Leaves as a Low-Cost and Effective Adsorbent for the Simultaneous Removal of Pb(II), Cu(II), Cd(II), and Zn(II) from Aqueous Solution
by Enkhtuul Mendsaikhan, Munkhpurev Bat-Amgalan, Ganchimeg Yunden, Naoto Miyamoto, Naoki Kano and Hee Joon Kim
Int. J. Mol. Sci. 2025, 26(6), 2639; https://doi.org/10.3390/ijms26062639 - 14 Mar 2025
Cited by 1 | Viewed by 433
Abstract
This study investigates the simultaneous adsorption of Pb(II), Cu(II), Cd(II), and Zn(II) ions from aqueous solutions using Urtica dioica leaves (UDLs) modified with sulfuric acid, followed by heat treatment to enhance adsorptive properties. The heat treatment significantly increased the adsorbent’s specific surface area [...] Read more.
This study investigates the simultaneous adsorption of Pb(II), Cu(II), Cd(II), and Zn(II) ions from aqueous solutions using Urtica dioica leaves (UDLs) modified with sulfuric acid, followed by heat treatment to enhance adsorptive properties. The heat treatment significantly increased the adsorbent’s specific surface area to 451.93 m2·g−1. Batch adsorption experiments were performed to determine the influence of the contact time, pH of the aqueous solution, adsorbent dosage, temperature, and initial metal concentration on the adsorption efficiency. The material (modified UDLs) was characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), and X-ray photoelectron spectroscopy (XPS). Maximum removal efficiencies were determined as 99.2%, 96.4%, 88.7%, and 83.6% for Pb(II), Cu(II), Cd(II), and Zn(II) ions, respectively. Adsorption isotherms and kinetics revealed that the process follows the Langmuir equation and pseudo-second-order models, indicating monolayer adsorption and chemisorption mechanisms. Furthermore, thermodynamic analysis indicated that the adsorption processes are spontaneous and endothermic in nature. The influence of competing ions on the adsorption of multiple heavy metals was also discussed. The results suggest that sulfuric acid and heat-treated Urtica dioica leaves can offer a promising, low-cost, and eco-friendly adsorbent for removing heavy metal ions from contaminated water. Full article
(This article belongs to the Special Issue Adsorption Materials and Adsorption Behavior: 3rd Edition)
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27 pages, 3592 KiB  
Article
A Comparative Kinetic and Thermodynamic Adsorption Study of Methylene Blue and Its Analogue Dye on Filter Paper
by Andrea Bogyor, Alexandra Ana Csavdari, Tamás Lovász and Enikő Bitay
Int. J. Mol. Sci. 2025, 26(2), 516; https://doi.org/10.3390/ijms26020516 - 9 Jan 2025
Viewed by 870
Abstract
A comparative adsorption study was carried out for methylene blue (MB) and its 3,7-bis(N,N-(2-hydroxyethyl)amino)-phenothiazinium dye analog (MBI). Batch experiments employed aqueous solutions and commercial filter paper. Out of seven kinetic models tested by means of four quality statistical indicators, the pseudo-second-order, the double-exponential, [...] Read more.
A comparative adsorption study was carried out for methylene blue (MB) and its 3,7-bis(N,N-(2-hydroxyethyl)amino)-phenothiazinium dye analog (MBI). Batch experiments employed aqueous solutions and commercial filter paper. Out of seven kinetic models tested by means of four quality statistical indicators, the pseudo-second-order, the double-exponential, and the bi-linear Weber–Morris equations were best fits. For both dyes, the process was described as a succession of two diffusion-controlled steps. The Freundlich isotherm was chosen from 11 models describing a variety of mechanism assumptions. Physisorption was considered responsible for the dye removal from liquid. Adsorption of MB is thermodynamically favored, whereas that of MBI is sterically hindered. Both processes are exothermic and exhibit reduced randomness at the S-L interface. The paper was found suitable for retaining MB but served rather filtration/purification purposes for MBI. Full article
(This article belongs to the Special Issue Adsorption Materials and Adsorption Behavior: 3rd Edition)
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17 pages, 3833 KiB  
Article
Anisotropy in Carbon Dioxide Adsorption on Forsterite
by Yakov Ermolov, Andrey Vasilchenko and Georgy Lazorenko
Int. J. Mol. Sci. 2024, 25(23), 12639; https://doi.org/10.3390/ijms252312639 - 25 Nov 2024
Viewed by 554
Abstract
In this study, density functional theory (DFT) method were used to investigate the adsorption behavior and binding mechanism of CO2 molecules on six crystallographic surfaces of forsterite (Mg2SiO4). The influence of surface crystallographic orientation on CO2 adsorption [...] Read more.
In this study, density functional theory (DFT) method were used to investigate the adsorption behavior and binding mechanism of CO2 molecules on six crystallographic surfaces of forsterite (Mg2SiO4). The influence of surface crystallographic orientation on CO2 adsorption efficiency was examined at the atomic level. Results showed stable binding of CO2 on all surfaces. The interaction strength decreases in the order: (001) > (101) > (120) > (111) > (010) > (110), with the (001) surface exhibiting the highest binding capacity due to accessible magnesium cations interacting with CO2. Detailed electronic property analysis revealed significant charge transfer between CO2 oxygen atoms and surface magnesium atoms, driven by hybridization of oxygen 2p and magnesium 2s orbitals, leading to the formation of ionic and covalent bonds. These interactions stabilize the adsorbed CO2 and are accompanied by changes in the electronic structure, such as energy level shifts and modifications in the partial density of states (PDOS). The computational analysis provides a theoretical foundation for understanding CO2 binding mechanisms by forsterite. The findings highlight the importance of crystallographic orientation and electronic properties of the mineral surface in adsorption efficiency, contributing to a deeper understanding of CO2 interactions with mineral surfaces. Full article
(This article belongs to the Special Issue Adsorption Materials and Adsorption Behavior: 3rd Edition)
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12 pages, 5062 KiB  
Article
A DFT Study of Band-Gap Tuning in 2D Black Phosphorus via Li+, Na+, Mg2+, and Ca2+ Ions
by Liuhua Mu, Jie Jiang, Shiyu Gao, Xiao-Yan Li and Shiqi Sheng
Int. J. Mol. Sci. 2024, 25(21), 11841; https://doi.org/10.3390/ijms252111841 - 4 Nov 2024
Cited by 1 | Viewed by 1367
Abstract
Black phosphorus (BP) and its two-dimensional derivative (2D-BP) have garnered significant attention as promising anode materials for electrochemical energy storage devices, including next-generation fast-charging batteries. However, the interactions between BP and light metal ions, as well as how these interactions influence BP’s electronic [...] Read more.
Black phosphorus (BP) and its two-dimensional derivative (2D-BP) have garnered significant attention as promising anode materials for electrochemical energy storage devices, including next-generation fast-charging batteries. However, the interactions between BP and light metal ions, as well as how these interactions influence BP’s electronic properties, remain poorly understood. Here, we employed density functional theory (DFT) to investigate the effects of monovalent (Li+ and Na+) and divalent (Mg2+ and Ca2+) ions on the valence electronic structure of 2D-BP. Molecular orbital analysis revealed that the adsorption of divalent cations can significantly reduce the band gap, suggesting an enhancement in charge transfer rates. In contrast, the adsorption of monovalent cations had minimal impact on the band gap, suggesting the preservation of 2D-BP’s intrinsic electrical properties. Energetic and charge analyses indicated that the extent of charge transfer primarily governs the ability of ions to modulate 2D-BP’s electronic structure, especially under high-pressure conditions where ions are in close proximity to the 2D-BP surface. Moreover, charge polarization calculations revealed that, compared with monovalent cations, divalent cations induced greater polarization, disrupting the symmetry of the pristine 2D-BP and further influencing its electronic characteristics. These findings provide a molecular-level understanding of how ion interactions influence 2D-BP’s electronic properties during ion-intercalation processes, where ions are in close proximity to the 2D-BP surface. Moreover, the calculated diffusion barrier results revealed the potential of 2D-BP as an effective anode material for lithium-ion, sodium-ion, and magnesium-ion batteries, though its performance may be limited for calcium-ion batteries. By extending our understanding of interactions between ions and 2D-BP, this work contributes to the design of efficient and reliable energy storage technologies, particularly for the next-generation fast-charging batteries. Full article
(This article belongs to the Special Issue Adsorption Materials and Adsorption Behavior: 3rd Edition)
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