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Porous Carbons for CO2 Adsorption and Capture
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Porous Carbons for CO2 Adsorption and Capture

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

Deadline for manuscript submissions: 31 March 2026 | Viewed by 3008

Special Issue Editors

Prof. Dr. Guojie Zhang

E-Mail Website
Guest Editor
State Key Laboratory of Clean and Efficient Coal Utilization, Taiyuan University of Technology, Taiyuan 030024, China
Interests: energy catalytic transformation; porous carbons; CO2 adsorption and capture; activated carbon; heteroatom doping; carbon nanotubes
Special Issues, Collections and Topics in MDPI journals
Dr. Jinsong Shi

E-Mail Website
Guest Editor
Institute of Applied Chemistry, Jiangxi Academy of Sciences, Nanchang, China
Interests: porous carbon; CO2 adsorption; CO2 capture; activated carbon; nitrogen doping

Special Issue Information

Dear Colleagues,

As the global community continues to tackle the urgent challenge of climate change, efficient CO2 capture and storage have become a key strategy for mitigating greenhouse gas emissions. The synthesis of porous carbons through a more sustainable, efficient, and controllable approach is being intensively pursued, as porous carbons have demonstrated competitive performances in many areas. Porous carbons have also been long studied as CO2 adsorbents due to their tunable properties, excellent stability, and low costs. An in-depth understanding of the correlations between adsorption performances and physicochemical properties can assist in tailoring synthesis strategies for enhanced CO2 adsorption. The current Special Issue aims to further bridge the gap between porous carbon synthesis and adsorption behaviors, achieving superior CO2 capture capabilities.

Scope and Topics of Interest:

We invite contributions on topics including (but not limited to) the following:

  1. Synthesis and Fabrication of Porous Carbons
    • Activated carbons from biomass, waste materials, and other precursors;
    • Carbon nanomaterials (e.g., carbon nanotubes, graphene oxide) for CO2 capture;
    • Template-assisted synthesis and porous carbon design;
    • Porous carbons from industrial by-products and sustainable sources.
  2. Surface Functionalization and Modification
    • Doping with heteroatoms (N, O, S) to enhance CO2 uptake;
    • Functionalization for selective adsorption and increased capacity;
    • Pore size engineering and control for optimized CO2
  3. Characterization Techniques
    • BET surface area and porosity analysis;
    • Microscopic and spectroscopic techniques (SEM, TEM, XPS, FTIR);
    • Characterization of CO2 adsorption isotherms, kinetics, and thermodynamics.
  4. CO2 Adsorption Mechanisms
    • Physisorption vs. chemisorption mechanisms for CO2 capture;
    • Effect of environmental factors (temperature, pressure, humidity) on CO2 uptake;
    • Adsorption selectivity for CO2 over other gasses (e.g., N2, CH4).
  5. Performance and Efficiency of CO2 Capture
    • Adsorption capacity and CO2 selectivity;
    • Regeneration and reusability of porous carbons for long-term performance;
    • Energy efficiency and environmental impact of CO2 capture processes.
  6. Applications of Porous Carbons in CO2 Capture Technologies
    • Direct air capture (DAC);
    • Post-combustion CO2 capture in power plants and industrial processes;
    • Carbon capture and utilization (CCU) and value-added products;
    • Integration with renewable energy systems for enhanced CO2
  7. Emerging Trends and Future Directions
    • Hybrid materials, combining porous carbons with other adsorbents (e.g., MOFs, COFs);
    • Machine learning and AI in material design and optimization for CO2 capture;

Prof. Dr. Guojie Zhang
Dr. Jinsong Shi
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. 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

  • porous carbons
  • carbon nanotubes
  • graphene oxide
  • carbon nanomaterials
  • activated carbons
  • adsorbents
  • CO2 adsorption
  • CO2 capture
  • physisorption
  • chemical activation
  • physical activation
  • surface functionalization
  • pore structure design
  • carbon doping
  • nitrogen doping
  • CO2 capture efficiency
  • CO2 selectivity
  • direct air capture (DAC)
  • CO2 storage
  • industrial CO2 capture
  • carbon capture and utilization (CCU)
  • CO2 adsorption mechanisms
  • adsorption kinetics
  • sustainable materials
  • adsorbent regeneration
  • machine learning in material design

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Published Papers (4 papers)

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Research

23 pages, 4452 KB  
Article
Characterization of CO2 Adsorption Behavior in Pyrolyzed Shales for Enhanced Sequestration Applications
by Asmau Iyabo Balogun, Haylay Tsegab Gebretsadik, Jemilat Yetunde Yusuf, Hassan Soleimani, Eswaran Padmanabhan and Abdullateef Oluwagbemiga Balogun
Molecules 2025, 30(21), 4196; https://doi.org/10.3390/molecules30214196 - 27 Oct 2025
Viewed by 292
Abstract
Mitigating climate change through the reduction of atmospheric CO2 emissions remains a critical global priority. Solid adsorbents, particularly shales, have become promising options for CO2 storage due to their favorable structural and chemical properties. In this study, a solid sorbent was [...] Read more.
Mitigating climate change through the reduction of atmospheric CO2 emissions remains a critical global priority. Solid adsorbents, particularly shales, have become promising options for CO2 storage due to their favorable structural and chemical properties. In this study, a solid sorbent was developed by pyrolyzing shale at 800 °C under a nitrogen (N2) atmospheric condition, yielding spent shale. The key physicochemical properties influencing CO2 sorption were characterized using X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Brunauer–Emmett–Teller (BET) surface area analysis, and Temperature-Programmed Desorption (TPD). Mineralogical analysis revealed the presence of quartz, feldspars, clays, and carbonate minerals. The spent shale exhibited surface areas of 30–34 m2/g and pore diameters ranging from 3 to 10 nm. TPD results confirmed the presence of active adsorption sites, with a maximum CO2 sorption capacity of about 1.62 mmol/g—surpassing several commercial sorbents. Adsorption behavior was best described by the Sips and Toth isotherm models (R2 > 0.99), indicating multilayer and heterogeneous adsorption processes. Kinetic modeling using both pseudo-first-order and pseudo-second-order equations revealed that CO2 uptake was governed by both diffusion and chemisorption mechanisms. These findings positioned spent shale as a low-cost, efficient sorbent for CO2 storage, promoting circular resource utilization and advancing sustainable carbon management strategies. This novel shale-derived material offers a competitive pathway for carbon capture, storage, and sequestration applications. Full article
(This article belongs to the Special Issue Porous Carbons for CO2 Adsorption and Capture)
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15 pages, 2135 KB  
Article
Novel Synthesis of Phosphorus-Doped Porous Carbons from Lotus Petiole Using Sodium Phytate for Selective CO2 Capture
by Yue Zhi, Jiawei Shao, Junting Wang, Xiaohan Liu, Qiang Xiao, Muslum Demir, Utku Bulut Simsek, Linlin Wang and Xin Hu
Molecules 2025, 30(19), 3990; https://doi.org/10.3390/molecules30193990 - 5 Oct 2025
Viewed by 491
Abstract
Developing sustainable and high-performance sorbents for efficient CO2 capture is essential for mitigating climate change and reducing industrial emissions. In this study, phosphorus-doped porous carbons (LPSP-T) were synthesized via a one-step activation–doping strategy using lotus petiole biomass as a precursor and sodium [...] Read more.
Developing sustainable and high-performance sorbents for efficient CO2 capture is essential for mitigating climate change and reducing industrial emissions. In this study, phosphorus-doped porous carbons (LPSP-T) were synthesized via a one-step activation–doping strategy using lotus petiole biomass as a precursor and sodium phytate as a dual-function activating and phosphorus-doping agent. The simultaneous activation and phosphorus incorporation at various temperatures (650–850 °C) under a nitrogen atmosphere produced carbons with tailored textural properties and surface functionalities. Among them, LPSP-700 exhibited the highest specific surface area (525 m2/g) and a hierarchical porous structure, with abundant narrow micropores (<1 nm) and phosphorus-containing surface groups that synergistically enhanced CO2 capture performance. The introduction of P functionalities not only improved the surface polarity and binding affinity toward CO2 but also promoted the formation of a well-connected pore network. As a result, LPSP-700 delivered a CO2 uptake of 2.51 mmol/g at 25 °C and 1 bar (3.34 mmol/g at 0 °C), along with a high CO2/N2 selectivity, fast CO2 adsorption kinetics and moderate isosteric heat of adsorption (Qst). Furthermore, the dynamic CO2 adsorption capacity (0.81 mmol/g) was validated by breakthrough experiments, and cyclic adsorption–desorption tests revealed excellent stability with negligible loss in performance over five cycles. Correlation analysis revealed pores < 2.02 nm as the dominant contributors to CO2 uptake. Overall, this work highlights sodium phytate as an effective dual-role agent for simultaneous activation and phosphorus doping and validates LPSP-700 as a sustainable and high-performance sorbent for CO2 capture under post-combustion conditions. Full article
(This article belongs to the Special Issue Porous Carbons for CO2 Adsorption and Capture)
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13 pages, 2832 KB  
Article
The Synthesis of B-Doped Porous Carbons via a Sodium Metaborate Tetrahydrate Activating Agent: A Novel Approach for CO2 Adsorption
by Junting Wang, Yingyi Wang, Xiaohan Liu, Qiang Xiao, Muslum Demir, Mohammed K. Almesfer, Suleyman Gokhan Colak, Linlin Wang, Xin Hu and Ya Liu
Molecules 2025, 30(12), 2564; https://doi.org/10.3390/molecules30122564 - 12 Jun 2025
Cited by 5 | Viewed by 909
Abstract
The CO2 capture from flue gas using biomass-derived porous carbons presents an environmentally friendly and sustainable strategy for mitigating carbon emissions. However, the conventional fabrication of porous carbons often relies on highly corrosive activating agents like KOH and ZnCl2, posing [...] Read more.
The CO2 capture from flue gas using biomass-derived porous carbons presents an environmentally friendly and sustainable strategy for mitigating carbon emissions. However, the conventional fabrication of porous carbons often relies on highly corrosive activating agents like KOH and ZnCl2, posing environmental and safety concerns. To address this challenge, in the present work sodium metaborate tetrahydrate (NaBO2·4H2O) has been utilized as an alternative, eco-friendly activating agent for the first time. Moreover, a water chestnut shell (WCS) is used as a sustainable precursor for boron-doped porous carbons with varied microporosity and boron concentration. It was found out that pyrolysis temperature significantly determines the textural features, elemental composition, and CO2 adsorption capacity. With a narrow micropore volume of 0.27 cm3/g and a boron concentration of 0.79 at.% the representative adsorbent presents the maximum CO2 adsorption (2.51 mmol/g at 25 °C, 1 bar) and a CO2/N2 selectivity of 18 in a 10:90 (v/v) ratio. Last but not least, the as-prepared B-doped carbon adsorbent possesses a remarkable cyclic stability over five cycles, fast kinetics (95% equilibrium in 6.5 min), a modest isosteric heat of adsorption (22–39 kJ/mol), and a dynamic capacity of 0.80 mmol/g under simulated flue gas conditions. This study serves as a valuable reference for the fabrication of B-doped carbons using an environmentally benign activating agent for CO2 adsorption application. Full article
(This article belongs to the Special Issue Porous Carbons for CO2 Adsorption and Capture)
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20 pages, 3178 KB  
Article
Progressive Conversion Model Applied to the Physical Activation of Activated Carbon from Palm Kernel Shells at the Pilot Scale in a Nichols Furnace and at the Industrial Scale in a Rotary Kiln
by Ernesto de la Torre, Alex S. Redrovan and Carlos F. Aragón-Tobar
Molecules 2025, 30(7), 1573; https://doi.org/10.3390/molecules30071573 - 31 Mar 2025
Viewed by 783
Abstract
Palm kernel shells, an abundant agro-industrial residue in countries like Ecuador, can be valorized through their conversion into activated carbon for industrial applications. This study investigates the physical activation of carbonized palm kernel shells using both a Nichols furnace at the pilot scale [...] Read more.
Palm kernel shells, an abundant agro-industrial residue in countries like Ecuador, can be valorized through their conversion into activated carbon for industrial applications. This study investigates the physical activation of carbonized palm kernel shells using both a Nichols furnace at the pilot scale and a rotary kiln at the industrial scale. The progressive conversion model was used to explain how the activation process works and to calculate the reaction rate constants for CO2 (krCO2) and H2O (krH2O). The experimental results demonstrated that activation in an H2O-rich atmosphere significantly enhanced porosity development and iodine index compared to CO2 alone. Additionally, the study confirmed that activation kinetics are primarily controlled by the chemical reaction rather than mass transport limitations, as indicated by the negligible effect of particle size on gasification rates. At 850 °C, the reaction rate constants were calculated to be krCO2 = 0.75 (mol·cm−3·s)−1 and krH2O = 8.91 (mol·cm−3·s)−1. The model’s predictions closely matched the experimental data, validating its applicability for process optimization at both the pilot and industrial scales. These findings provide valuable insights for improving the efficiency of activated carbon production from palm kernel shells in large-scale operations. Full article
(This article belongs to the Special Issue Porous Carbons for CO2 Adsorption and Capture)
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