Preparation and Electrochromic Properties of MnO2/PPy Composite Films with Coral-like Structures.

MnO2/polypyrrole (PPy) composite films were deposited on fluorine-doped tin oxide (FTO) conductive glasses by a two-step wet-chemical method, including electrochemical deposition and chemical bath deposition (CBD). The porous MnO2 films were first grown on FTO glasses by an electrodeposition method. Second, polypyrrole nanoparticles were polymerized by the oxidation-reduction reaction between MnO2 and pyrrole, using the presynthesized MnO2 as the skeleton. Then, MnO2/PPy composite films with coral-like structures were obtained. The electrochemical and electrochromic (EC) properties of the prepared films were investigated. The results show that, compared to the single MnO2 or PPy film, the MnO2/PPy composite film has a larger optical modulation (67.3% at a wavelength of 900 nm), faster response times (4 s for coloration and 3 s for bleaching), and a higher coloration efficiency (218.16 cm2·C-1). The high coloration efficiency attests to the exceptional performance of the composite film in converting electrical signals into vivid color changes. The electrochemical stability test results show that the composite film maintains a stable EC performance after 200 coloration/bleaching cycles. The coral-like structures of the composite film are responsible for the better EC properties.

Suppressing the Shuttle Effect via Polypyrrole-Coated Te Nanotubes for Advanced Na-Te Batteries.

There is a growing demand for research and development of advanced energy storage devices with high energy density utilizing earth-abundant metal anodes such as sodium metal. Tellurium, a member of the chalcogen group, stands out as a promising cathode material due to its remarkable volumetric capacity, comparable to sulfur, and significantly high electrical conductivity. However, critical issues arise from soluble sodium polytellurides, leading to the shuttle effect. This phenomenon can result in the loss of active materials, self-discharge, and anode instability. Here, we introduce polypyrrole-coated tellurium nanotubes as the cathode materials, where polypyrrole plays a crucial role in preventing the dissolution of polytellurides, as confirmed through operando optical microscopy. The polypyrrole-coated tellurium nanotubes exhibited an outstanding rate performance and long cycle stability in sodium-tellurium batteries. These research findings are anticipated to bolster the viability of polypyrrole-coated tellurium nanotubes as promising cathode materials, making a substantial contribution to the commercialization of sodium-ion battery technology.

Thermal and light-driven soft actuators based on a conductive polypyrrole nanofibers integrated poly(N-isopropylacrylamide) hydrogel with intelligent response.

The development of soft hydrogel actuators with outstanding mechanical properties, fast actuation speed, and available quantification of self-sensing actuation remains a challenging endeavor. In this work, dopamine-decorated polypyrrole nanofibers (DAPPy) were introduced into the polyethylene glycol diacrylate (PEGDA)-crosslinked poly(N-isopropyl acrylamide) network to generate a stretchable, NIR-responsive, and strain sensitive DAPPy/PNIPAM hydrogel layer. Besides, this active layer was combined with the passive ligninsulfonate sodium/polyacrylamide (LS/PAAM) to give DAPPy/PNIPAM//LS/PAAM bilayer hydrogel actuator, which exhibits ultrafast thermo-responsive actuation (19°/s) and underwater grasping and lifting performance. Moreover, the DAPPy/PNIPAM layer has excellent electrical conductivity (0.29 S/m) and thermal conversion ability (10.8 °C/min), which enable such a conductive hydrogel to act as a highly sensitive strain and temperature sensor with real-time resistance change in response to tensile strain (gauge factor up to 3.4), applied pressure, temperature, and remote NIR light irradiation. More importantly, the bilayer hydrogel actuator can integrate both actuation and self-sensing functions through the bending angle-surface temperature-relative resistance change relationship of the photothermal process. With excellent mechanical actuation and self-sensing ability, the resulting bilayer hydrogel showed a promising application potential as soft biomimetic actuating materials and soft intelligent actuators.

Construction and evaluation of AuNPs enhanced electrochemical immunosensors with [Fe(CN)6]3-/4- and PPy probe for highly sensitive detection of human chorionic gonadotropin.

Human chorionic gonadotropin (HCG), a vital protein for pregnancy determination and a marker for trophoblastic diseases, finds application in monitoring early pregnancy and ectopic pregnancy. This study presents an innovative approach employing electrochemical immunosensors for enhanced HCG detection, utilizing Anti-HCG antibodies and gold nanoparticles (AuNPs) in the sensor platform. Two sensor configurations were optimized: BSA/Anti-HCG/c-AuNPs/MEL/e-AuNPs/SPCE with [Fe(CN)6]3-/4- as a redox probe (1) and BSA/Anti-HCG/PPy/e-AuNPs/SPCE using polypyrrole (PPy) as a redox probe (2). The first sensor offers linear correlation in the 0.10-500.00 pg∙mL-1 HCG range, with a limit of detection (LOD) of 0.06 pg∙mL-1, sensitivity of 32.25 µA∙pg-1∙mL∙cm-2, RSD <2.47 %, and a recovery rate of 101.03-104.81 %. The second sensor widens the HCG detection range (40.00 fg∙mL-1-5.00 pg∙mL-1) with a LOD of 16.53 fg∙mL-1, ensuring precision (RSD <1.04 %) and a recovery range of 94.61-106.07 % in serum samples. These electrochemical immunosensors have transformative potential in biomarker detection, offering enhanced sensitivity, selectivity, and stability for advanced healthcare diagnostics.

Oxygen-functionalized Fe3O4@o-polypyrrole acting as high-efficiency oxidase mimics and their application in glutathione colorimetric sensing.

The enzyme-like properties of nanozymes may be considerably affected by the structure and surface groups, which thus need to be optimized. Here, through a simple NaOH chemical corrosion method, the chemical structure similar to N-Methylpyrrolidone (NMP), which possessed intrinsic oxidase-like activity, was introduced into polypyrrole (PPy), and then this nanomaterial became oxygen-functionalized PPy (o-PPy) with excellent oxidase-like activity from PPy without this property. Furthermore, after compounding magnetic Fe3O4, the obtained nanocomposites Fe3O4@o-PPy nanoparticles (Fe3O4@o-PPy NPs) showed superiorities in separation during synthesis and real-time control of enzyme catalysis. Studies have found that the enzymatic activity of Fe3O4@o-PPy NPs depended on the amount of functionalized oxygen and the conjugation extent of o-PPy. Fe3O4@o-PPy NPs had efficient oxidase-like activity under a wide range of pH and temperature. Based on the oxidase-like activity of Fe3O4@o-PPy NPs, a colorimetric sensor for glutathione (GSH), which presented rich color changes and satisfactory colorimetric resolution by adding the amaranth, was realized. We believe that the functional modification and structural regulation of PPy can not only realize its wider application but also promote the discovery of novel and efficient nanozymes.

Polypyrrole-coated sodium manganate microspheres cathode for superior performance Sodium-ion batteries.

P2-Na0.67Mn0.67Ni0.33O2 is a promising cathode material for sodium ion batteries (SIBs) due to its low cost, high theoretical capacity, and non-toxicity. However, it still suffers from unsatisfactory cycling stability mainly incurred by the Jahn-Teller effect of Mn3+ and electrolyte decomposition on the electrode/electrolyte interface. Herein, the P2-Na0.67Ni0.33Mn0.67O2@PPy (NNMO@PPy) composite applied as cathode materials for SIBs is obtained by introducing conductive polypyrrole (PPy) as coating layer on the P2-Na0.67Ni0.33Mn0.67O2 (NNMO) microspheres. Numerous physical characterization methods indicate that the PPy layer was uniformly coated on the surface of NNMO microspheres without change in phase structure and morphology. The PPy coating layer can alleviate Mn dissolution and effectively suppress the side reactions between the electrolyte and electrode during cycling. The optimal NNMO@PPy-9 with 9 wt% PPy delivers a high capacity of 127.4 mAh/g at the current density at 150 mA g-1, an excellent cyclic stability with high capacity retention of 80.5 % after 300 cycles, and enhanced rate performance (169.3 mAh/g at 15 mA g-1 while 89.8 mAh/g at 600 mA g-1). Furthermore, hard carbon (-)//NNMO@PPy-9 (+) full cell delivers a high energy density of 305.1 Wh kg-1 and superior cycling stability with 88.2 % capacity retention after 150 cycles. In-situ X-ray diffraction experiment and electrochemical characterization verify the highly reversible structure evolution and robust P2-type phase structure of NNMO@PPy-9 for fast and stable Na+ diffusion. This effective strategy of using conductive PPy as a coating layer may provide a new insight to modify NNMO surface, improving the cycling stability and rate capability.

Rapid and High-Density Antibody Immobilization Using Electropolymerization of Pyrrole for Highly Sensitive Immunoassay.

Polypyrrole (Ppy) is a biologically compatible polymer that is used as a matrix, in which drugs and enzymes can be incorporated by doping. Here, we suggest an inventive application of Ppy as a biorecognition film encapsulated with an antibody (Ab) as an alternative strategy for the on-site multistep functionalization of thiol-based self-assembled monolayers. The fabrication steps of the recognition films were followed by dropping pyrrole and Ab mixed solutions onto the electrode and obtaining a thin film by direct current electropolymerization. The efficiency of Ab immobilization was studied by using fluorescence microscopy and electrochemical (EC) methods. Finally, the Ab density was increased and immobilized in 1 min, and the sensing performance as an EC immunosensor was demonstrated using α-fetoprotein with a limit of detection of 3.13 pg/mL and sensing range from 1 pg/mL to 100 ng/mL. This study demonstrates the potential for electrochemical functionalization of biomolecules with high affinity and rapidity.

Lightweight, breathable and self-cleaning polypyrrole-modified multifunctional cotton fabric for flexible electromagnetic interference shielding.

The thriving of wearable electronics and the emerging new requirements for electromagnetic interference (EMI) shielding have driven the innovation of EMI shielding materials towards lightweight, wearability and multifunctionality. Herein, the hierarchical polypyrrole nanotubes (PNTs)/PDMS structures are rationally constructed on the textile for obtaining multifunctional and flexible EMI shielding textiles by in-situ polymerization and surface coating. The modified cotton fabric possesses a conductivity of about 2715.8 S/m and an SET of 28.2 dB in the X band when the thickness is only 0.5 mm. After ultrasonic treatment, cyclic bending and washing, the conductivity and EMI shielding performance remain stable and exhibit long-term durability. Importantly, the textile's inherent lightweight, breathable and soft properties have been completely retained after modification. This work shows application potentiality in the field of EMI pollution protection and affords a novel path for the construction of multifunctionally wearable and durable EMI shielding materials.

Highly Conductive and Long-Term Stable Phosphorene-Based Nanocomposite for Radio-Frequency Antenna Application.

In this study, an omnidirectional and high-performance free-standing monopole patch radio-frequency antenna was fabricated using a urea-functionalized phosphorene/TiO2/polypyrrole (UTP) nanocomposite. The UTP nanocomposite antenna was fabricated via ball milling of urea-functionalized phosphorene, chemical oxidative polymerization of the UTP nanocomposite, and mechanical pelletizing of the composite. Based on experiments, the proposed UTP nanocomposite-based antenna exhibited long-term stability in terms of electrical conductivity. After 12 weeks, a slight change in surface resistance was observed. The proposed antenna exhibited high radiation efficiency (78.2%) and low return loss (-36.6 dB). The results of this study suggest the potential of UTP nanocomposite antennas for applications in 5G technology.

Interactions of Cardiac Proteins with Plasma-Synthesized Polypyrrole (PSPy) to Improve Adult Cardiomyocytes Culture.

Plasma-Synthesized Polypyrrole (PSPy) has been reported as a biomaterial suitable for cell growth in vitro and in vivo. An experimental duplicate was carried out that showed the growth of cardiomyocytes with PSPy, following a protocol previously reported by the working group. The cardiomyocytes cultured with the biomaterial retained their native morphological characteristics, a fundamental key to improving cardiac cell therapy procedures. Such observations motivated us to investigate the molecular characteristics of the biomaterial and the type of interactions that could be occurring (mainly electrostatic, hydrogen bonds, and non-polar). Additionally, PSPy has been studied to establish the probable mechanisms of action of the biomaterial, in particular, its action on a group of cell membrane proteins, integrins, which we know participate in the adhesion of cells to the extracellular matrix, in adhesion between cells and as bidirectional signal transducer mechanisms. In this work, we carried out studies of the interactions established between cardiac integrins α2ß1 and α5ß1 with different PSPy models by molecular docking studies and binding free energies (ΔGb) calculations. The models based on a previously reported PSPy molecule have three variable terminal chemical groups, with the purpose of exploring the differences in the type of interaction that will be established by modifying the position of an amino (-NH2), a hydroxyl (-OH), and a nitrile (C≡N) in (fixed) groups, as well as the length of the terminal chains (a long/short -NH2). A model with short chains for the -OH and -NH2 (lateral) group was the model with the best interactions with cardiac integrins. We experimentally verified the direct interaction of cardiomyocytes with the PSPy biomaterial observed in rat primary cultures, allowing us to validate the favorable interactions predicted by the computational analysis.

Optimization of graphene polypyrrole for enhanced adsorption of moxifloxacin antibiotic: an experimental design approach and isotherm investigation.

The presence of antibiotics in water systems had raised a concern about their potential harm to the aquatic environment and human health as well as the possible development of antibiotic resistance. Herein, this study investigates the power of adsorption using graphene-polypyrrole (GRP-PPY) nanoparticles as a promising approach for the removal of Moxifloxacin HCl (MXF) as a model antibiotic drug. GRP-PPY nanoparticles synthesis was performed with a simple and profitable method, leading to the formation of high surface area particles with excellent adsorption properties. Characterization was assessed with various techniques, including Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray diffraction (XRD) and Brunauer-Emmett-Teller (BET). Box-Behnken experimental design was developed to optimize the adsorption process. Critical parameters such as initial antibiotic concentration, nanoparticle concentration, and pH were investigated. The Freundlich isotherm model provided a good fit to the experimental data, indicating multilayer adsorption of MXF onto the GRP-PPY-NP. As a result, a high adsorption capacity of MXF (92%) was obtained in an optimum condition of preparing 30 µg/mL of the drug to be adsorbed by 1 mg/mL of GRP-PPY-NP in pH 9 within 1 h in a room temperature. Moreover, the regeneration and reusability of GRP-PPY-NP were investigated. They could be effectively regenerated for 3 cycles using appropriate desorption agents without significant loss in adsorption capacity. Overall, this study highlights the power of GRP-PPY-NP as a highly efficient adsorbent for the removal of MXF from wastewater as it is the first time to use this NP for a pharmaceutical product which shows the study's novelty, and the findings provide valuable insights into the development of sustainable and effective wastewater treatment technologies for combating antibiotic contamination in aquatic environments.

Wintersweet-like Nanohybrids of Titanium-doped Cerium Vanadate Loaded with Polypyrrole for Tumor Theranostic.

Compromises between enhanced on-targeting reactivity and precise real-time monitoring in the tumor microenvironment (TME) are the main roadblocks for catalytic cancer therapy. The hallmark of a high level of hydrogen peroxide (H2O2) and acidic extracellular environment of the hypoxia solid tumor can underpin therapeutic and tracking performance. Herein, this work provides an activatable wintersweet-like nanohybrid consisting of titanium (Ti) doped cerium vanadate nanorods with the modification of polypyrrole (PPy) nanoparticles (CeVO4-Ti@PPy) for combinatorial therapies of breast carcinoma. The Ti dopants in the size-controllable CeVO4 nanorods lower the energy barrier (0.5 eV) of the rate-determining steps and elaborate peroxidase-like (POD-like) activities to improve the generation of toxic hydroxyl radical (·OH) according to the density functional theory (DFT) calculation. The multiple enzyme-like activities, including the intrinsic glutathione peroxidase (GPx) and catalase (CAT), achieve a record-high therapeutic efficiency. Coupling this oxidative stress with the photothermal effects of PPy enables enhanced catalytic tumor necrosis. The exterior PPy heterogeneous structure can be further doped with protons in the local acidic environment to intensify photoacoustic signals, allowing the non-invasive accurate tracking of tumors. The theranostic performance displayed negligible attenuated signals in near-infrared (NIR) windows. This organic-inorganic nanohybrid with a heterogeneous structure provides the potential to improve the overall outcomes of catalytic therapy.

Investigation of TiO2/PPy nanocomposite for photocatalytic applications; synthesis, characterization, and combination with various substrates: a review.

The use of photocatalysis technology, specifically visible light photocatalysis that relies on sustainable solar energy, is the most promising for the degradation of contaminants. The interaction of conducting polymer and titanium dioxide (TiO2) leads to the exchange that enhances the alteration of the semiconductor's surface and subsequently decreases the bandgap energy. Polypyrrole (PPy) and TiO2 nanocomposites have promising potential for photocatalytic degradation. Chemically and electrochemical polymerization are two predominant methods for adding inorganic nanoparticles to a conducting polymer host matrix. The most commonly utilized method for producing PPy/TiO2 nanocomposites is the in-situ chemical oxidative polymerization technique. Immobilizing PPy/TiO2 on substrates causes more charge carriers (electron/hole pairs) to be produced on the surface of TiO2 and enhances the rate of photocatalytic degradation compared to pure TiO2. The increased surface charge affects how electron/hole pairs are formed when visible light is used. This study provides a comprehensive investigation into the synthesis, characterization, application, efficiency, and mechanism of PPy/TiO2 nanocomposites in the photocatalytic degradation process of various pollutants. Furthermore, the effect of stabilizing the TiO2/PPy nanocomposite on various substrates will be investigated. In conclusion, the review outlines the ongoing challenges in utilizing these photocatalysts and highlights the essential concerns that require attention in future research. Its objective is to help researchers better understand photocatalysts and encourage their use in wastewater treatment.

Fabrication of Polypyrrole Hollow Nanospheres by Hard-Template Method for Supercapacitor Electrode Material.

Conducting polymers like polypyrrole, polyaniline, and polythiophene with nanostructures offers several advantages, such as high conductivity, a conjugated structure, and a large surface area, making them highly desirable for energy storage applications. However, the direct synthesis of conducting polymers with nanostructures poses a challenge. In this study, we employed a hard template method to fabricate polystyrene@polypyrrole (PS@PPy) core-shell nanoparticles. It is important to note that PS itself is a nonconductive material that hinders electron and ion transport, compromising the desired electrochemical properties. To overcome this limitation, the PS cores were removed using organic solvents to create hollow PPy nanospheres. We investigated six different organic solvents (cyclohexane, toluene, tetrahydrofuran, chloroform, acetone, and N,N-dimethylformamide (DMF)) for etching the PS cores. The resulting hollow PPy nanospheres showed various nanostructures, including intact, hollow, buckling, and collapsed structures, depending on the thickness of the PPy shell and the organic solvent used. PPy nanospheres synthesized with DMF demonstrated superior electrochemical properties compared to those prepared with other solvents, attributed to their highly effective PS removal efficiency, increased specific surface area, and improved charge transport efficiency. The specific capacitances of PPy nanospheres treated with DMF were as high as 350 F/g at 1 A/g. And the corresponding symmetric supercapacitor demonstrated a maximum energy density of 40 Wh/kg at a power density of 490 W/kg. These findings provide new insights into the synthesis method and energy storage mechanisms of PPy nanoparticles.

Preparation and characterization of hybrid polypyrrole nanoparticles as a conducting polymer with controllable size.

Hybrid polypyrrole (PPy) nanoparticles were prepared using a low-temperature oxidative polymerization process in an acidic solution with polyethyleneimine (PEI) as a template and amine source. The results showed that the nanoparticles have an amorphous structure in the X-ray diffractogram and exhibited good dispersibility in water, uniform size, and a specific conductivity ranging from 0.1 to 6.9 S/cm. The particle size could be tuned from 85 to 300 nm by varying the reactant concentration. Undoping the samples with sodium hydroxide (NaOH) solution altered the optical absorption properties and surface roughness of the particles. However, it did not affect the particle size. The nanoparticles also exhibited optical sensing properties based on their UV-vis absorption changes with the pH. Moreover, nanoparticles could have potential applications in gene delivery and bio-adsorption for contaminant removal. This work demonstrates a simple and effective method for preparing hybrid polypyrrole nanoparticles with controllable size, dispersibility, and conductivity for various nanotechnology, biotechnology, and environmental engineering purposes.

Synthesis and Electrochemical Characterization of Nitrate-Doped Polypyrrole/Ag Nanowire Nanorods as Supercapacitors.

Polypyrrole (PPy)-capped silver nanowire (Ag NW) nanomaterials (core-shell rod-shaped Ag NW@PPy) were synthesized using a one-port suspension polymerization technique. The thickness of the PPy layer on the 50 nm thickness/15 µm length Ag NW was effectively controlled to 10, 40, 50, and 60 nm. Thin films cast from one-dimensional conductive Ag NW@PPy formed a three-dimensional (3D) conductive porous network structure and provided excellent electrochemical performance. The 3D Ag NW@PPy network can significantly reduce the internal resistance of the electrode and maintain structural stability. As a result, a high specific capacitance of 625 F/g at a scan rate of 1 mV/s was obtained from the 3D porous Ag NW@PPy composite film. The cycling performance over a long period exceeding 10,000 cycles was also evaluated. We expect that our core-shell-structured Ag NW@PPy composites and their 3D porous structure network films can be applied as electrochemical materials for the design and manufacturing of supercapacitors and other energy storage devices.

Charge Storage Properties of Ferrimagnetic BaFe12O19 and Polypyrrole-BaFe12O19 Composites.

This investigation is motivated by an interest in multiferroic BaFe12O19 (BFO), which combines advanced ferrimagnetic and ferroelectric properties at room temperature and exhibits interesting magnetoelectric phenomena. The ferroelectric charge storage properties of BFO are limited due to high coercivity, low dielectric constant, and high dielectric losses. We report the pseudocapacitive behavior of BFO, which allows superior charge storage compared to the ferroelectric charge storage mechanism. The BFO electrodes show a remarkably high capacitance of 1.34 F cm-2 in a neutral Na2SO4 electrolyte. The charging mechanism is discussed. The capacitive behavior is linked to the beneficial effect of high-energy ball milling (HEBM) and the use of an efficient dispersant, which facilitates charge transfer. Another approach is based on the use of conductive polypyrrole (PPy) for the fabrication of PPy-BFO composites. The choice of new polyaromatic dopants with a high charge-to-mass ratio plays a crucial role in achieving a high capacitance of 4.66 F cm-2 for pure PPy electrodes. The composite PPy-BFO (50/50) electrodes show a capacitance of 3.39 F cm-2, low impedance, reduced charge transfer resistance, enhanced capacitance retention at fast charging rates, and good cyclic stability due to the beneficial effect of advanced dopants, HEBM, and synergy of the contribution of PPy and BFO.

Investigation of spectroscopic and electrical properties of doped poly(pyrrole-3-carboxylic acid).

The spectroscopic and electrical properties of poly(pyrrole-3-carboxylic acid) doped with p-TSA- (p-toluenesulfonate) and AQS- (anthraquinone sulfonate) were investigated. The variation in electrical conductivity as a function of temperature shows that the systems have semiconductor-like electrical characteristics. The investigated polymers exhibit 3D conductivity and less than 0.6 eV energy gaps. The IR and Raman spectra show that the charge carriers are polarons and bipolarons. Doping the poly(pyrrole-3-carboxylic acid) increases the number of charge carriers. Electron paramagnetic resonance has shown that localized polarons and bipolarons are formed within these polymers.

Biomimetic copper-doped polypyrrole nanoparticles induce glutamine metabolism inhibition to enhance breast cancer cuproptosis and immunotherapy.

Cuproptosis, a newly discovered mechanism of inducing tumor cell death, primarily relies on the intracellular accumulation of copper ions. The utilization of Cu-based nanomaterials to induce cuproptosis holds promising prospects in future biomedical applications. However, the presence of high levels of glutathione (GSH) within tumor cells hinders the efficacy of cuproptosis. In this study, we have developed a BPTES-loaded biomimetic Cu-doped polypyrrole nanoparticles (CuP) nanosystem (PCB) for enhanced cuproptosis and immune modulation. PCB comprises an internal BPTES and CuP core and an external platelet membrane (PM) that facilitates active targeting to tumor sites following intravenous administration. Subsequently, PCB effectively suppresses glutaminase (GLS1) activity, thereby reducing GSH content. Moreover, CuP catalyze intracellular H2O2, amplifying oxidative stress while simultaneously inducing dihydrolipoyl transacetylase (DLAT) oligomerization through released Cu2+, resulting in cuproptosis. PCB not only inhibits primary tumors but also exhibits inhibitory effects on abscopal tumors. This work represents the first instance where GLS inhibition has been employed to enhance cuproptosis and immunotherapy. It also provides valuable insights into further investigations on cuproptosis.

Revealing the interaction forms between Hg(II) and group types (-Cl, -CN, -NH2, -OH, -COOH) in functionalized Poly(pyrrole methane)s for efficient mercury removal.

To explore the impact of different functional groups on Hg(II) adsorption, a range of poly(pyrrole methane)s functionalized by -Cl, -CN, -NH2, -OH and -COOH were synthesized and applied to reveal the interaction between different functional groups and mercury ions in water, and the adsorption mechanism was revealed through combined FT-IR, XPS, and DFT calculations. The adsorption performance can be improved to varying degrees by the incorporation of functional groups. Among them, the oxygen-containing functional groups (-OH and -COOH) exhibit stronger affinity for Hg(II) and can increase the adsorption capacity from 180 mg g-1 to more than 1400 mg g-1 at 318 K, with distribution coefficient (Kd) exceeding 105 mL g-1. The variations in the capture and immobilization capabilities of functionalized poly(pyrrole methane)s predominantly stem from the unique interactions between their functional groups and mercury ions. In particular, oxygen-containing -OH and -COOH effectively capture Hg(OH)2 through hydrogen bonding, and further deprotonate to form the -O-Hg-OH and -COO-Hg-OH complexes which are more stable than those obtained from other functionalized groups. Finally, the ecological safety has been fully demonstrated through bactericidal and bacteriostatic experiments to prove the functionalized poly(pyrrole methane)s can be as an environmentally friendly adsorbent for purifying contaminated water.