Nanoporous Carbon Research Articles

Multifunctional metal–organic frameworks nanoengineered laser-induced graphene for health electronics

Laser-induced graphene (LIG) has great application potential in flexible electronics. Incorporating other functional nanomaterials into LIG is an important way to improve its performance. However, there are few studies on in-situ modification of LIG morphology by nanomaterials to improve its performance. Herein, to modify the morphology of LIG films, NiCo-metal–organic frameworks (NiCo-MOFs) were added to the LIG precursors to participate in the carbonization forming process of LIG films for the first time, and the NiCo nanoporous carbon (NiCo-NPC)/LIG films with cauliflower-like surface microstructure were obtained. Since the formation process of LIG is affected by the carbonization of NiCo-MOFs, the NiCo-NPC/LIG film has a fluffier porous structure and rougher surface morphology than that of the LIG film. Therefore, the NiCo-NPC/LIG-based flexible piezoresistive sensor exhibits an ultra-high sensitivity of 226 kPa−1 in 0–45 kPa, which is 54 % higher than that of the LIG-based sensor. Meanwhile, the NiCo-NPC/LIG film exhibits an electromagnetic interference (EMI) shielding effectiveness of 171 dB/mm in the band of 8.2–12.4 GHz, which is 104 % higher than that of the corresponding LIG film. In addition, the NiCo-NPC/LIG-based Joule heater exhibits fast response and good flexibility. The experimental results indicate that using MOFs additives to modify the morphology of LIG in situ can effectively improve LIG performance, which provides a new way for developing high-performance LIG-based composite films.

A nanoporous screen-printed carbon sensor for environmental and clinical monitoring of the antibiotic ciprofloxacin

A very sensitive, fast and simple electrochemical procedure using a nanoporous screen-printed carbon electrode (NPSPCE) was developed for the determination of the fluoroquinolone antibiotic ciprofloxacin (CFX). Changes in the surface morphology and electrochemical properties of the SPCE before and after pre-anodization were examined using scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). CV studies also demonstrated unequivocally adsorption controlled and irreversible oxidation of CFX. Using optimized conditions, the developed procedure is characterized by excellent selectivity and high sensitivity, allowing to achieve a very low limit detection (6.3 × 10−11 mol/L). The measurements taken allow us to consider the NPSPCE as a very effective tool for direct determination of CFX in samples with a complex matrix such as sewage and body fluids. The developed environment friendly sensor and procedure meet the requirements of green chemistry (reduction of toxic chemicals/reagents, and generation of minimal waste).

Dual Single-Atomic Co-Mn Sites in Metal-Organic-Framework-Derived N-Doped Nanoporous Carbon for Electrochemical Oxygen Reduction.

Synthesizing dual single-atom catalysts (DSACs) with atomically isolated metal pairs is a challenging task but can be an effective way to enhance the performance for electrochemical oxygen reduction reaction (ORR). Herein, well-defined DSACs of Co-Mn, stabilized in N-doped porous carbon polyhedra (named CoMn/NC), are synthesized using high-temperature pyrolysis of a Co/Mn-doped zeolitic imidazolate framework. The atomically isolated Co-Mn site in CoMn/NC is recognized by combining microscopic as well as spectroscopic techniques. CoMn/NC exhibited excellent ORR activities in alkaline (E1/2 = 0.89 V) as well as in acidic (E1/2 = 0.82 V) electrolytes with long-term durability and enhanced methanol tolerance. Density functional theory (DFT) suggests that the Co-Mn site is efficiently activating the O-O bond via bridging adsorption, decisive for the 4e- oxygen reduction process. Though the Co-Mn sites favor O2 activation via the dissociative ORR mechanism, stronger adsorption of the intermediates in the dissociative path degrades the overall ORR activity. Our DFT studies conclude that the ORR on an Co-Mn site mainly occurs via bridging side-on O2 adsorption following thermodynamically and kinetically favorable associative mechanistic pathways with a lower overpotential and activation barrier. CoMn/NC performed excellently as a cathode in a proton exchange membrane (PEM) fuel cell and rechargeable Zn-air battery with high peak power densities of 970 and 176 mW cm-2, respectively. This work provides the guidelines for the rational design and synthesis of nonprecious DSACs for enhancing the ORR activity as well as the robustness of DSACs and suggests a design of multifunctional robust electrocatalysts for energy storage and conversion devices.

MIL-101 (Cr) hybrid nanoporous carbon derived MOF as a nano-adsorbent for dye removal using RSM-CCD

Metal-organic frameworks (MOFs) are a promising class of nanoporous crystalline materials with potential applications in gas storage, catalysis, biomedical, adsorption, and clean energy. The massive parts of commercial dyes are interring to our environment and are considered danger for humans and animals. In this research work, nanohybrids based on MOFs have been studied as a suitable nanoadsorbent for the adsorption of cationic dyes such as methylene blue (MB). In this article, a nanopore carbon (NPC) was prepared from Zn-MOF. The Zn-MOF NPC with MI-101 NPs has been used to prepare Zn-MOF NPC@MIL nanohybrid by the hydrothermal method. Various XRD, FT-IR, SEM, EDX, TEM, TGA, and BET techniques have been used to characterize the nano adsorbent. Four essential variables effective in adsorption, loading percentage of NPs, initial concentration of MB, contact time and pH, were optimized by Central Composite Response Surface Method (RSM-CCD). The removal percentage (Re%) of MB is equal to 95.7% was obtained under the following conditions: The loading value of 25Wt.%, the MB initial concentration of 50 mg. L-1, contact time 30 min and pH 8. Also, the experimental data were investigated with famous kinetic models and isotherms, and it was observed that MB removal by nanohybrid is correlated with pseudo-second-order kinetic model and Langmuir isotherm.

In-Situ photothermal regeneration of fulvic Acid-Saturated Co@NC magnetic nanoparticles via persulfate oxidation

To achieve sustainable adsorbent regeneration in wastewater treatment, a novel in-situ regeneration strategy using photothermally activated peroxydisulfate (PDS) oxidation was developed. Here, magnetic cobalt nanoparticles embedded in nanoporous carbon (Co@NC) were synthesised at different carbonization temperatures, and their potential for removing fulvic acid (FA) were assessed during adsorption-regeneration cycles. The results revealed that Co@NC prepared at 700℃ (Co@NC@700) exhibited excellent adsorption and regeneration capabilities, as well as outstanding photothermal properties. The FA removal rate could reach 90% during the adsorption process, and Co@NC@700 could be efficiently separated from water by magnetic force. Under irradiation equivalent to four suns, the Co@NC@700 system reached 70 °C with a photothermal conversion efficiency of 65%, providing ample thermal energy for PDS activation. Even after seven photothermal regeneration cycles, over 55% of the original adsorption capacity could still be recovered. Compared with direct desorption without degradation, the total organic carbon (TOC) content in the regeneration solution reduced to 18.84 mg/L, achieving a removal rate of 83%. The quenching experiments, electron paramagnetic resonance and electrochemistry tests indicated that both radical and non-radical pathways contributed to the regeneration process. By harnessing renewable solar energy, this study provides a feasible approach for simultaneous in-situ adsorbent regeneration and containment removal.

Designing of Fe- ZIF67 derived Fe-Co/NC with its reduced graphene oxide-based composites for hydrogen and oxygen evolution reaction

This study focuses on the rational design and synthesis of catalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). A two-step method is employed, where the catalysts are first designed through hydrothermal synthesis and then subjected to pyrolysis at 400 °C under an argon environment. The performance of the designed electrocatalyst Fe-Co/NC, along with its 1, 3, 5, and 7 wt% rGO-based composites, is compared against commercial catalysts, 5 wt% Pt/C, and IrO2, for HER and OER. From all of the synthesized electrocatalysts, the 5 wt% rGO@Fe-Co/NC electrocatalyst exhibits exceptional electrochemical activity with less overpotential for both HER (−0.164 V) and OER (0.14 V) in the presence of alkaline media. Furthermore, this composite remained stable for 24 h without any degradation. The improved electrocatalytic activity of the 5 wt% rGO@Fe-Co/NC composite compared to Fe-Co/NC can be attributed to the presence of support materials like rGO and the availability of nanoporous carbon containing iron and cobalt. This successful combination of doping and interface engineering holds significant promise in the design of advanced electrocatalytic materials for water-splitting processes.

The role of nitrogen-doping on the electrochemical behavior of MOF-derived carbons in ionic liquid electrolytes

Metal-organic frameworks (MOFs) derived nanoporous carbons have been intensively studied as electrode materials for electric double-layer capacitors. However, the current research on MOF-derived carbons were mainly focused on investigating electrochemical performances of supercapacitors in aqueous electrolytes, and there were only a few studies involved ionic liquids electrolytes. In addition, the research of nitrogen doping effect on MOF-derived carbons in ionic liquids electrolytes has rarely been reported. Nitrogen doping is considered to be the common and effective way to improve the electrochemical performances of carbonaceous electrodes because it can not only enhance the electrical conductivity but also bring about pseudocapacitances in aqueous electrolytes. However, the nitrogen doping effect in ionic liquids electrolytes need to be further investigated especially for MOF-derived carbons with large quantities of micropores. In this study, MOF-derived nitrogen-doped carbons were synthesized by carbonization of urea functionalized Zn-MOF-74, and their electrochemical behavior in EMIMBF4 and EMIMTFSI ionic liquid electrolytes were investigated. The nitrogen-doping degree was tuned by adjusting the amount of urea. Electrochemical test showed that nitrogen-doped carbons exhibited a maximum capacitance enhancement of 24.4 % than pristine sample in ionic liquid electrolytes. Nevertheless, nitrogen-doping contributed few pseudocapacitances in ionic liquid electrolytes, and the enhanced electrochemical performances could be ascribed to the increased electrical conductivity and the matched pore structures.

An electrochemical aptasensor based on stimulus response and signal amplification strategy for the detection of Amyloid-β oligomers

In this study, an aptasensor was prepared by stimuli-responsive and signal amplification strategy to detect Amyloid-β oligomers (AβO). ZIF-8 was directly carbonized to prepare nanoporous carbon without carbon precursor, and the samples obtained at different temperature were characterized. Porous carbon derived from ZIF-8 at 700℃ (ZC-700) with the best loading capacity was obtained as a nano-container, which was used to hold MB, and the aptamer acting with AβO. Aptamers were accumulated on the surface through π-π stacking to form a stimuli-responsive container. When the aptamer interacted with AβO, it would leave the surface of the container. Therefore, Methylene blue (MB) would run out of the pores of ZC-700, be captured by capture probe, and be enriched on glass carbon electrode (GCE) to realize signal amplification and complete detection. The sensor had a detection range of 50fM to 10 nM and a detection limit of 1.58fM. It also had a great performance in the actual sample, which was promising in the early diagnosis of Alzheimer’s disease.

Possibilities for the nanotechnology sector development on the bases of primary and secondary resources in the Republic of Srpska

Republic of Srpska has significant unexploited sources of raw materials for the production of already widely known applicable nanomaterials, however, this potential has yet to be recognized. The potential of exploitation of several such raw materials is analyzed, as well as their availability in the field. The greatest potential lies in the mining industry waste and waste containing cellulose (sawdust, wood waste, fruit baskets, corn waste, etc.). Metal mines, both active and abandoned, are characterized by large amounts of accumulated sludge from which it is possible to extract metal ions. Later, these extracted ions can be used to produce metal nanoparticles that could have many applications. Utilizing standard processes, it is possible to produce activated nanoporous carbon from cellulose waste, known mostly as a material for filtration of contaminated water and air. From the available data on these resources, published by national and international organizations, this chapter strongly suggests that significant potential for industrial development in Republic of Srpska lies in the production of high-quality nanomaterials from waste materials. In addition to solving a number of environmental problems by reducing waste, the production of nanomaterials from domestic raw materials such as mining waste and cellulose waste materials, which are mostly discussed here, provides opportunities to stimulate local economic development. These industries could lead to the creation of new jobs, increase the efficiency in the use of raw materials by expanding the number of final products that could be produced in the Republic of Srpska with added value, much higher than the raw materials themselves.

A Gram Scale Soft-Template Synthesis of Heteroatom Doped Nanoporous Hollow Carbon Spheres for Oxygen Reduction Reaction.

Heteroatom-doped nanoporous carbon materials with unique hierarchical structures have been shown to be promising supports and catalysts for energy conversion; however, hard-template methods are limited by their inflexibility and time-consuming process. Soft-template methods have been suggested as an alternative, but they are limited by their picky requirements for stable reactions and the few known precursors for small-batch synthesis. In this study, a gram-scale soft-template-based silica-assisted method was investigated for producing nitrogen-doped hollow nanoporous carbon spheres (N-HNCS). Nitrogen doping is accomplished during preparation with enhanced electrocatalytic activity without complicating the methodology. To investigate the effect of the unique structural characteristics of N-HNCS (specific surface area: 1250 m2 g-1; pore volume: 1.2 cm3 g-1), cobalt was introduced as an active center for the oxygen reduction reaction. Finely tuned reaction conditions resulted in well-dispersed cobalt particles with minimal agglomeration. This sheds light on the advancement of new experimental procedures for developing more active and promising non-noble catalysts in large and stable batches.

Conducting co-polymer derived N, S co-doped metal-free hierarchical nanoporous carbon for robust electrochemical capacitor

The present investigation reported metal-free hierarchical porous and robust Nitrogen (N), Sulphur (S) co-doped carbon (NS-CoP@C) electrode for supercapacitor application. The NS-CoP@C was synthesized by single-step carbonization and activation of thiourea co-doped aniline-pyrrole co-polymer (CoP). The thiourea acted as a doping as well as activating agent. The data of three different electrode materials PANI-PPy co-polymer (CoP), PANI-PPy co-polymer derived Carbon (CoP@C) and N, S co-doped carbon derived from PANI-PPy co-polymer (NS-CoP@C) are compared in the present report. The electrode materials were initially characterized by various spectroscopic techniques. It is observed that among the three electrode material, NS-CoP@C possess higher specific surface area (SSA), high pore volume and hierarchal porous structure with a better mesopore-to-micropore volume ratio. In a three-electrode system, NS-CoP@C possesses a high specific capacitance of 344.2 F/g @ 0.5A/g. Moreover, NS-CoP@C electrode was used to fabricate an all solid-state (PVA-1 M H2SO4 polymer gel electrolyte) and aqueous (1 M H2SO4 electrolyte) symmetrical supercapacitor devices in the two-electrode system. This NS-CoP@C electrode was used as both positive and negative electrode material in both types of devices. Among them, the solid-state device operates at a wide potential window of 2 V, as a consequence delivering an implausible energy and power density of 45.25 Wh/kg and 1025.64 W/kg while maintaining a capacity retention of 90.1 % even after 8500 charge-discharge cycles. Hence, the excellent performance of conducting PANI-PPy co-polymer-derived N, S co-doped carbon paved new ground for developing an alternative electrode for futuristic energy storage devices.

In Situ N, O Co-Doped Nanoporous Carbon Derived from Mixed Egg and Rice Waste as Green Supercapacitor.

The conversion of nitrogen-oxygen-rich biomass wastes into heteroatomic co-doped nanostructured carbons used as energy storage materials has received widespread attention. In this study, an in situ nitrogen-oxygen co-doped porous carbon was prepared for supercapacitor applications via a two-step method of pre-carbonization and pyrolytic activation using mixed egg yolk/white and rice waste. The optimal sample (YPAC-1) was found to have a 3D honeycomb structure composed of abundant micropores and mesopores with a high specific surface area of 1572.1 m2 g-1, which provided abundant storage space and a wide transport path for electrolyte ions. Notably, the specific capacitance of the constructed three-electrode system was as high as 446.22 F g-1 at a current density of 1 A g-1 and remained above 50% at 10 A g-1. The capacitance retention was 82.26% after up to 10,000 cycles. The symmetrical capacitor based on YPAC-1 with a two-electrode structure exhibited an energy density of 8.3 Wh kg-1 when the power density was 136 W kg-1. These results indicate that porous carbon materials prepared from mixed protein and carbohydrate waste have promising applications in the field of supercapacitors.

Versatile Synthesis of Hollow-structured Mesoporous Carbons by Enhanced Surface Interaction for High-performance Lithium-ion Batteries.

Nanoporous carbons are very attractive for various applications including energy storage. Templating methods with assembled amphiphilic molecules or porous inorganic templates are typically used for the synthesis. Amongst the different members of this family, CMK-5-like structures that are constructed to consist of sub-10nm amorphous carbon nanotubes and ultrahigh specific surface area due to their thin pore walls, have the best properties in various respects. However, the fabrication of such hollow-structured mesoporous carbons entails elaborately tailoring the surface properties of template pore walls and selecting specific carbon precursors. Thus, very limited cases are successful. Herein, wereport a versatile and general silanol-assisted surface-casting method to create hollow-structured mesoporous carbons and heteroatom-doped derivatives with numerous organic molecules (e.g., furfuryl alcohol, resol, 2-thiophene methanol, dopamine, tyrosine) and different structural templates. These carbon materials exhibit ultrahigh surface area (2400 m2 g-1 ), large pore volume (4.0 cm3 g-1 ), as well as satisfactory lithium-storage capacity (1460 mAh g-1 at 0.1 A g-1 ), excellent rate capability (320 mAh g-1 at 5 A g-1 ), and very outstanding cycling performance (2000 cycles at 5 A g-1 ). This article is protected by copyright. All rights reserved.

3D nanostructure prediction of porous carbons via gas adsorption

Structural characterization of porous carbon materials is critical for the evaluation of their synthesis procedures and performance. Throughout the last decades, many methods have been employed to determine porosity properties from gas adsorption such as surface area, pore size distribution (PSD) and real density. However, gas adsorption models use 1D structures of carbon nanopores, although adsorption and separation properties of nanoporous carbons are governed by 3D pore parameters. Estimating the 3D nanostructure of nanoporous carbons using gas adsorption would accelerate progress in research and implementation of nanoporous carbons. We report here a promising 3D pore nanostructural characterization from gas adsorption. Using atomistic simulations, we have generated a database of realistic 3D porous carbon structures spanning a wide range of pore sizes and geometries. After calculating their gas adsorption isotherms, we employed a numerical procedure to find the relative contribution for each of the structures to the adsorption isotherm of a nanoporous carbon sample. These contributions allowed us to estimate the surface area and pore size distribution of carbon materials; moreover (and perhaps more importantly!), we will show that the plausible 3D pore structures correlate very well with the local carbon structure as experimentally determined by high-resolution TEM observations and can successfully predict adsorption of different molecules. This is a powerful procedure that can be extended to other materials, and with enough computer power, to larger pore sizes.

Investigation of the Adsorption Process of Triclosan from an Aqueous Solution, Using Nanoporous Carbon Adsorbents, Obtained after Treatment of Organic Household and Vegetable Waste

The absorption of triclosan on the surface of four different carbon adsorbents, obtained on the base of plant and household waste (RDF), provided by Sofia Waste Plant, was investigated. The obtained results indicate that the most important parameters, which determine the process of triclosan adsorption by adsorbent surface are pore texture, the size of the accessible surface for the molecules of triclosan, and the chemical nature of the adsorbent surface. It was found that the obtained adsorbents can be successfully applied for the extraction of triclosan from waste and drinking water. The possibilities for solid products, obtained by thermal treatment of household and vegetable waste, to be applied successfully in a water purification technique are discussed.

Preparation and characterization of nanoporous carbon for removal of amoxicillin antibiotic from water: Modelling, kinetics and thermodynamic studies

Preparation and characterization of nanoporous carbon for removal of amoxicillin antibiotic from water: Modelling, kinetics and thermodynamic studies

An artificial neural network model for capacitance prediction of porous carbon-based supercapacitor electrodes

Among energy storage devices, the last decades have witnessed the rapid spread of usage of carbon-based electrodes for electric double-layer capacitors (EDLCs) due to their large surface area, low cost, and high porosity. It is crucial to develop an accurate and efficient forecasting model for electrochemical performance to reduce the time needed for making suitable designs and choosing testing electrode materials. As a result, the use of machine learning (ML) approaches in creating a predicting model for the capacitance of carbon-based supercapacitors looks critical and provides the electrode characteristics' relative relevance. Data extracted from nearly a hundred published experimental research papers to select supercapacitors with certain electrode morphologies such as mesoporous, nanoporous, microporous, and hierarchical porous carbon electrode. The data was examined using machine learning techniques to predict the supercapacitor's specific capacitance (F/g). Electrode material structural qualities and various physicochemical test features such as electrolyte material, pore volume, and specific surface area. Electrochemical test features acquired via electrochemical impedance spectroscopy (EIS) and galvanostatic charge-discharge (GCD) test investigations for the same purpose include: cell configuration, current density, applied potential window, charge-transfer resistance (RCT), and equivalent series resistance (ESR) were used as input features to predict the corresponding capacitance performance. In the present study, Lasso, Support Vector Machine Regression (SVMR), and Artificial Neural Networks (ANN) with different structures were examined to predict the capacitance of the supercapacitor. The exhibition of the ML models measured concerning the root mean square error (RMSE), the correlation between expected yield and yield provided by the system. The developed ANN model with RMSE, MAE, and R values of 30.82, 46.5624 and 0.89537, respectively, provides outcomes for the prediction that are highly accurate compared to other models created for this purpose. According to the analysis of the input features done using the SHAP (SHapley Additive exPlanations) framework, the specific surface area had the biggest impact on the ANN model.

Transport properties of imidazolium-based room temperature ionic liquids in confinement of slit charged carbon nanopores: New insights from molecular simulations

The paper presents a study of the behavior of room-temperature ionic liquids with different alkyl chain lengths and anion types in slit negatively charged carbon nanopores of various widths (1–15 nm) using all-atom molecular dynamics simulations. The structure of the confined ionic liquids is investigated using number, mass, and charge density profiles and radial distribution functions. The paper also discusses such characteristics as mean squared displacement of ions in all directions, self-diffusion coefficients of cations and anions in the bulk, their temperature dependences, electrical conductivity. Some energy characteristics are obtained by quantum chemical calculations. It is established that there is a bulk region in the pore center for all the confined ionic liquids, starting from the pore width of 7 nm. The sums of the cationic and anionic self-diffusion coefficients of different ionic liquids can be arranged as follows: D[OMIM][BF4] < D[EMIM][BF4] < D[OMIM][NTf2] < D[EMIM][NTf2]. Due to layering structure inside the pore, the dynamics of the ions is heterogeneous. It is shown that the RTILs with longer alkyl chains have lower electrical conductivities regardless of temperature. The opposite effect associated with the species size is observed for RTILs with different anions.

Design of iron oxyhydroxide nanosheets coated on Co species embedded in nanoporous carbon for oxygen evolution reaction

There is still a tremendous challenge in designing environmentally friendly oxygen evolution reaction (OER) catalysts that are inexpensive and high-performing for practical applications. Herein, the self-sacrificing template zeolitic imidazolate framework-67 (ZIF-67) was pyrolyzed under N2 atmosphere to generate Co species embedded in nanoporous carbon (Co-NC). Then, iron oxyhydroxide (FeOOH) was wrapped onto the Co-NC surface via electrodeposition to shape the Co-NC@FeOOH composites. Benefiting from the core–shell structure, high conductivity, and distributed active sites, Co-NC@FeOOH presents distinguished OER performance with a low overpotential (336 mV) at 10 mA cm−2 and small Tafel slope (49.46 mV dec-1). This work furnishes a rosy passage for receiving cost-effective electrocatalysts with high efficiency for OER.

Continuum Modeling of Gas and Ions Transport in a High-Surface-Area Carbon (HSC) Nanopore

PEM fuel cell (PEMFC) is one of the promising energy conversion devices for emission-free transportation applications. It is beneficial in faster charging and better scalability compared to battery-powered vehicles, making PEMFC a viable option for heavy-duty vehicles which require higher efficiency and longer lifetimes. To economically compete with the combustion engine and improve commercialization, the PEMFC cathode desires optimization in enhancing the utilization of the expensive Pt catalyst. Integration of high-surface-area carbon (HSC) has shown to increase accessible Pt surface by diminishing ionomer poisoning as Pt particles can be loaded inside the nanoscale micropores (<5 nm) that ionomer cannot penetrate due to size restriction. However, separating Pt catalysts from ionomers requires a water pathway to deliver the proton to the interior catalyst surface, leading to RH-dependent electrochemical surface area (ECSA). In this work, we develop a steady-state, isothermal continuum model to study the gas and ions transport within HSC nanopores. The pore is represented as a straight cylindrical channel filled with water with an ionomer domain at the pore mouth serving as a proton reservoir. The ionomer phase contains H+, OH-, and background stationary SO3 - while the water phase only includes H+ and OH-. The Poisson-Nernst-Plank equations describe the flux of ions, and O2 transport is described by Fick’s law. Non-ideal behaviors including nanoconfinement effects and dielectric saturation are considered in the pore water phase, reflected by corrections in ion chemical potentials, diffusion coefficients of transport species, and dielectric constant. The electrical double layer (EDL) at the water-electrode interface is depicted as discrete finite domains applying the Gouy-Chapman-Stern (GCS) theory, with the oxygen reduction reaction (ORR) occurring at a finite reaction plane at the outer Helmholtz plane (OHP) through both acidic and alkaline reaction pathways. Donnan potential drop is solved at the ionomer-pore water interface and governs potential distribution in the pore water phase, further determining ionic concentrations at the catalyst surface and thus the kinetic region of polarization curves. The strong-adsorbed water adlayers due to nanoconfinement effects create a transport barrier for O2 approaching the catalyst surface, leading to higher mass transport resistance. A comparison between a flooded pore scenario (only a water phase exists in the pore) and a wetted pore scenario (the pore wall is covered by a water film while a gas phase also exists in the pore) shows that mass transport is hindered in the flooding pore as O2 dissolves in the pore water through a limited pore-ionomer interfacial area, while pore gas phase in the wetted pore serves as an extra O2 resource. This suggests that the management of HSC water uptake needs to avoid pore flooding while ensuring enough wettability to allow proton transport. The model is expected to couple with HSC pore size distribution measured from experiments and upscale to a cell-level model in future work.