Phase Carbon Nitride Research Articles

Built-in electric field microenvironment of nickel cobalt phosphine/carbon nitride heterojunction for the enhanced visible-light-driven photocatalytic CO2 reduction

The greenhouse effect and the shortage of fossil energy are among the major issues that need to be addressed by the international community today. And graphite phase carbon nitride (g-C3N4, CN) is widely applied in catalysis because of its advantages of simple preparation, suitable band structure, high chemical and thermal stability. While some drawbacks limits its widespread application. In this study, different ratios of nickel cobalt phosphine/carbon nitride heterojunction photocatalyst (NiCoP/CN) was prepared by loading different amount NiCoP on the surface of CN using in-situ growth technology. The characterization results of XRD, SEM, TEM and XPS indicated that the synthesized NiCoP/CN heterojunction photocatalyst presented a highly wrinkled structure, which was conducive to the contact between the heterojunction photocatalyst and CO2. The combination of NiCoP with CN generated a unique figure of merit and created a built-in electric field, which facilitates the accumulation of photogenerated electrons in the CN region, thus providing a rich source of reducing electrons for the photocatalytic process. The catalytic reduction activity was assessed by the efficiency of photocatalytic CO2 reduction to simultaneous production of CO and CH4. The results indicated that compared with the original CN, the NiCoP/CN heterojunction photocatalyst exhibited excellent photocatalytic reduction performance of CO2. Among the prepared photocatalysts, the NiCoP-3/CN heterojunction photocatalyst had the best photocatalytic performance with CO and CH4 yields of 874.00 µmol g-1 h-1 and 408.00 µmol g-1 h-1. In addition, NiCoP is a kind of superior electronic conductor, and electrons in CN can effectively move towards NiCoP, which greatly inhibits the photo-induced recombination of charges and improves reduction efficiency.

Potassium and Boron Co-Doping of g-C3N4 Tuned CO2 Reduction Mechanism for Enhanced Photocatalytic Performance: A First-Principles Investigation.

Graphitic phase carbon nitride (g-C3N4, abbreviated as CN) can be used as a photocatalyst to reduce the concentration of atmospheric carbon dioxide. However, there is still potential for improvement in the small band gap and carrier migration properties of intrinsic materials. K-B co-doped CN (KBCN) was investigated as a promising photocatalyst for carbon dioxide reduction via the Density Functional Theory (DFT) method. The electronic and optical properties of CN and KBCN indicate that doping K and B can improve the catalytic performance of CN by promoting charge migration and separation. In terms of the Gibbs free energy change, the CO2 reduction reaction catalysed by KBCN results in CH3OH, and its optimal pathway is CO2 → *CO2 → *COOH → CO → *OCH → HCHO → *OCH3 → CH3OH. Compared with CN, the doping elements K and B shift the rate-determining step from CO2 → *CO2 to *CO2 → *COOH. The K and B elements co-doping tuned the charge distribution between the catalyst and the adsorbate and reduced the Gibbs free energy of the rate-determining step from 1.571 to 0.861 eV, suggesting that the CO2 reduction activity of KBCN is superior to that of CN. Our work provides useful insights for the design of metallic-nonmetallic co-doped CN for photocatalytic CO2 reduction (CO2PR) reactions.

Oxygen-Doped Porous Ultrathin Graphitic Carbon Nitride Nanosheets for Photocatalytic Hydrogen Evolution and Rhodamine B Degradation.

Graphite phase carbon nitride (g-C3N4) is a highly promising metal-free photocatalyst, but its low activity, due to limited quantum efficiency and small specific surface area, restricts its practical application. While exfoliating bulk crystals into porous thin-layer nanosheets and incorporating dopants have been shown to improve photocatalytic efficiency, these methods are typically complex, time-consuming, and costly processes. In this study, we developed a simple approach to synthesize oxygen-doped porous g-C3N4 (OCN) nanosheets. The resulting OCN exhibited significantly enhanced light absorption and visible-light photocatalytic activity compared to bulk g-C3N4 (BCN) and g-C3N4 (CN). The OCN achieved an impressive hydrogen evolution reaction (HER) rate of 8.02 mmol g-1 h-1, eight times greater than BCN, and demonstrated a high Rhodamine B (RhB) degradation rate of 97.3 % owing to the generation of abundant singlet oxygen. These improvements in photocatalytic performance are attributed to the narrow band gap and enhanced electron transfer properties, suggesting a promising route for the efficient design of g-C3N4-based photocatalysts.

Design of ternary GO@AgNPs@g-C3N4 membranes for efficient dye removals in integrated photocatalysis-filtration reactors

Photocatalytic composite membranes (PCMs), which integrate the high degradation efficiency of photocatalysts and the physical separation properties of membranes, have emerged as a promising technology for wastewater treatment. Herein, the ternary GO@AgNPs@g-C3N4 PCM was fabricated through a facile vacuum-filtration assembly of graphene oxide (GO), graphitic phase carbon nitride (g-C3N4), and silver nanoparticles (AgNPs) onto commercial mixed cellulose ester (MCE) substrates. The effects of g-C3N4 synthesized from different precursors and various metal nanoparticles on the performance of PCM were systematically investigated. Interestingly, results show the addition of AgNPs not only significantly improves the photocatalytic performance of PCMs but also enhances the mechanical adhesion between the active layer and the MCE substrate. The resultant PCMs exhibit outstanding photocatalytic performance, maintaining dye removal above 89% even after 25 consecutive cycles. Moreover, dye degradation pathways over the PCMs were investigated through free radical scavenging experiments and electron spin resonance characterizations. This simple assembly method results in a 3–12 times increase in flux compared to the layer-by-layer assembly method. Accordingly, our designed PCMs exhibit significant potential for wastewater treatment and water purification applications.

Facile synthesis of 3D flower-like nickel phyllosilicate on graphite phase carbon nitride: a strategy for reducing fire hazard of epoxy resin

Facile synthesis of 3D flower-like nickel phyllosilicate on graphite phase carbon nitride: a strategy for reducing fire hazard of epoxy resin

Simple preparation of ultra‐thin white g‐C3N4 nano‐sheets and their use as nanofillers to enhance the tribological properties of epoxy composite coating

AbstractGraphite phase carbon nitride (g‐C3N4) has shown great promise as a functional filler in the field of friction. But at present, research in the field of friction mainly focuses on bulk g‐C3N4 or obtaining g‐C3N4 nano‐sheets through inefficient exfoliation strategies, which greatly limits its industrial applications. In the study, a simple and effective secondary calcination method has been developed to successfully fabricate ultrathin white g‐C3N4 nano‐sheets. The mass ratio of the same volume of bulk g‐C3N4 and white g‐C3N4 nano‐sheets was as high as 50:1. Subsequently, the tribological performance of epoxy (EP) composite coatings containing different contents of bulk g‐C3N4 and g‐C3N4 nano‐sheets were researched. The EP composite coatings containing 1 wt.% g‐C3N4 nano‐sheets possess the lowest wear rate and friction coefficient in all samples, which is attributed to the two‐dimensional planar structure and high specific surface area of g‐C3N4 nano‐sheets make it easier to transfer to the dual surface to form the excellent transfer film under the action of friction force, so that the friction mainly occurs between a dual surface and a transfer film, which effectively improves the tribological performance of the coatings.Highlights Ultrathin white g‐C3N4 nano‐sheets were prepared by secondary calcination. EP‐1 wt.% g‐C3N4 nanosheets show the best tribological properties. g‐C3N4 nanosheet is easy to transfer to dual surfaces to form transfer films. This work provides guidance for the application of nanofillers in tribology.

Exceptional indoor carbon capture using epoxide-modified polyamine functionalized materials

In addressing concerns related to symptoms like dizziness, nausea, and reduced productivity stemming from elevated indoor CO2 levels, the primary objective of the current CO2 adsorption technology is to enhance the adsorption capacity. However, the stability and applicability of the adsorbent are of greater importance in indoor carbon capture than in other settings. This study examines the performance and stability of indoor CO2 capture using propylene oxide-modified tetraethylenepentamine supported on novel super carbon, gas-phase hydrophilic silica dioxide, and graphitic phase carbon nitride carriers. The corresponding painted films were developed to facilitate the application in indoor CO2 capture. Thermogravimetric analysis demonstrates that the propylene oxide-modified materials are more stable than the unmodified compositions. The findings indicate that an optimal adsorption capacity is achieved when water is used as the solvent and carboxymethyl cellulose sodium as a dispersant, while maintaining a carrier-to-tetraethylenepentamine mass ratio of 1:0.75. Furthermore, the painted films are stably formed by using isopropanol instead of water, and the tetraethylenepentamine-to-propylene oxide molar ratio of 1:2 for super carbon and graphitic phase carbon nitride as carriers, which exhibit notable enhancements in adsorption performance by 160.0 % and 41.8 %, respectively. The film using super carbon as supporter exhibited the highest adsorption capacity of 122.83 mg/g. This suggests that the compositions are more readily available for indoor CO2 capture by coating in everyday scenarios. Notably, even after undergoing five adsorption–desorption cycles, the desorption efficiency of the solid amine adsorbent remains consistently above 95 %.

Synergistic effect of lightning rod and piezo-photocatalysis in sea urchin-shape Zn-MOF-74@g-C3N4 step-scheme heterojunction for H2O2 production under visible light irradiation

Piezo-photocatalytic H2O2 production was an emerging environmental technology that could convert solar energy into green chemicals, garnering significant attention. This study combined lightning rod effect and piezo-photocatalysis to achieve H2O2 production through an indirect two-electron oxygen reduction reaction pathway. A composite catalyst, sea urchin-shaped Zn-MOF-74@g-C3N4, had a surface of spherical Zn-MOF-74 made up of graphite phase carbon nitride nanoneedles with high curvature tips. These tips could induce a “lightning rod effect” property, accelerating charge transfer and separation by guiding electron migration along the sharp tip direction. The piezo-photocatalytic process, along with the construction of step-scheme heterojunction, generated a dual electric field, significantly enhancing the separation and migration rate of photogenerated carriers. As a result, the prepared Zn-MOF-74@g-C3N4 demonstrated a higher H2O2 production rate under the synergistic effect of lightning rod and piezo-photocatalysis. Free radical trapping experiments were conducted on various active species to uncover the mechanism behind the piezo-photocatalytic dual electric field coupling to produce H2O2.

Ultrahigh nitrogen-doped carbon derived from g-C3N4 assisted by citric acid for superior potassium-ion storage

Nitrogen-doped carbon is regarded as a promising anode for potassium ion batteries (PIBs) because nitrogen atoms can regulate the structures of carbon and generate abundant active sites. How to improve the nitrogen content in carbon through simple and effective methods remains to be further addressed. In this paper, a carbon material (60NC) with ultrahigh nitrogen content (16 %) was prepared from graphite phase carbon nitride (g-C3N4) by a convenient freeze-drying and high-temperature pyrolysis method, assisted by citric acid. When used as an anode for PIBs, 60NC exhibited a superior reversible capacity of 318.1 mAh g−1 after 200 cycles at 0.1 A g−1. Even at the high current density of 1A g−1, 60NC maintained a specific capacity of 261.8 mAh g−1 after 1000 cycles. The excellent electrochemical performance of 60NC mainly stems from its abundant K+ storage active sites caused by nitrogen doping, large layer spacing, and hierarchical porous structure.

Fluorescent probe based on GO/g-C3N4-PEG@Cu NPs/MIP for the detection of dopamine in banana.

Graphene oxide (GO) and copper nanoparticles (Cu NPs) were incorporated to modulate and enhance the fluorescence properties of pegylated graphite phase carbon nitride (g-C3N4-PEG). Combined with the specific recognition capability of a molecular imprinted polymer (MIP), a highly sensitive and selective fluorescent molecular imprinted probe for dopamine detection was developed. The fluorescent g-C3N4-PEG was synthesized from melamine and modified with GO and Cu NPs to obtain GO/g-C3N4-PEG@Cu NPs. Subsequently, MIP was prepared on the surface of GO/g-C3N4-PEG@Cu NPs using dopamine as the template molecule. Upon elution of the template molecule, a dopamine-specific GO/g-C3N4-PEG@Cu NPs/MIP fluorescence probe was obtained. The fluorescence intensity of the probe was quenched through the adsorption of different concentrations of dopamine by the MIP, thus establishing a novel method for the detection of dopamine. The linear range of dopamine detection was from 5 × 10-11 to 6 × 10-8mol L-1, with a detection limit of 2.32 × 10-11mol L-1. The sensor was utilised for the detection of dopamine in bananas, achieving a spiked recovery rate between 90.3% and 101.3%. These results demonstrate that the fluorescence molecular imprinted sensor developed in this study offers a highly sensitive approach for dopamine detection in bananas.

Accurate construction of Cd/CdS/g-C3N4 heterojunction interface for efficient photocatalytic tetracycline degradation and Cr6+ reduction

With the increasing attention paid to environmental issues and the rapid development of photocatalytic environmental remediation technology, it is of great significance to develop catalysts with efficient photocatalytic environmental remediation capabilities. Graphite phase carbon nitride and its heterojunction are ideal choices for photocatalytic environmental remediation. Accurately constructing stable and well contacted heterogeneous interfaces is an effective means to improve catalytic efficiency. Herein, stable Cd/CdS/CN heterojunction interface was successful constructed by an in-situ synthesis method. Cd/CdS/CN photocatalysts exhibits excellent environmental remediation potential, capable of removing 88 % of high concentration TC (40 mg/L) within 60 min, and reducing over 96 % of Cr(VI) (50 mg/L) within 25 min under visible light, with good cycling stability. In addition, the reaction mechanism and TC degradation pathway of the composite photocatalyst with good photocatalytic activity were analyzed in depth. The experimental results confirmed that the synergistic effect of Z-Scheme heterojunction and Ohmic junction significantly improved the separation and migration of photogenerated carriers in the system, and maintained a high redox ability. This work provides a new reference for constructing CN based heterojunction photocatalysts with close contact.

Unraveling the mystery of sandwich structure: Emerging photocatalytic hydrogen production by g-C3N5 coupled Nb2C MXene forming Schottky heterojunction

The development of new photocatalysts and photocatalytic systems is the essence of the development of photocatalytic hydrogen production engineering. Nitrogen-rich graphite carbon nitride (g-C3N5) has gradually replaced conventional graphite phase carbon nitride (g-C3N4) with a smaller bandgap and high-efficiency visible light utilization. In this study, g-C3N5 and Nb2C MXene coupled composition with sandwich structure were manufactured by a simple ultrasonic magnetic stirring method and used for photocatalytic hydrogen production. By adjusting the ratios of single components in the system, the hydrogen production rate of the optimal sample 4:1g-C3N5/Nb2C under visible light irradiation is 2529.5 μmol·g−1·h−1, which is 21 times higher than that of g-C3N5. The high apparent quantum yield (AQY) value of 17.3 % also proves a high light utilization rate. The atomic force microscopy (AFM) technique reveals variations in the thickness of the samples, while strongly demonstrating the formation of sandwich structure. In addition, X-ray photoelectron spectroscopy (XPS) analysis further reveals the electron transfer paths within the system, preliminarily verifying the formation of Schottky heterojunctions. Kelvin probe force microscopy (KPFM) tests not only re-validate the correctness of the electron transfer path but also demonstrate the accuracy of the energy bands. The density-functional theory (DFT) calculations corroborate that Nb2C MXene plays the role of a photoco-catalyst to form Schottky heterojunctions with g-C3N5 for efficient carrier separation and migration. This work highlights the key role of sandwich structure photocatalytic systems on photocatalytic performance.

Enhanced electrochemiluminescence of dual-defect graphite carbon nitride for ultrasensitive detection of CEA

Herein, a dual-defective graphite carbon nitride (DDCN) was prepared by polymerization under N2 atmosphere combined with oxidation treatment. The luminous intensity of dual-defect graphite phase carbon nitride based on defect state luminescence is significantly improved compared to CN-air. On this basis, a biosensor for CEA detection was constructed based on specific immunobinding of antigen–antibody. It is noted that the biosensor exhibits a wide linear range of 1 × 10-5 ∼ 1 × 102 ng•mL−1, a low detection limit of 3.3 × 10-4 pg•mL−1, a recovery of 94 %∼105 % and RSD less than 4.41 %. In addition, there was no significant difference to the clinical results, indicating that this work has good clinical application prospects.

Construction of PEO@g-C3N4 supported ionic liquid membrane with interactive network structure for enhanced carbon capture efficiency

Polyethylene oxide (PEO) shows a high CO2-philic due to its dipolar-quadrupolar interaction with CO2 molecules. As a result, it is an excellent candidate for gas separation applications, yet it faces problems such as crystallization and low permeance. Herein, we show a versatile strategy to enhance gas permeation fluxes, which is mainly achieved by hindering the crystallization of PEO and the stacking of nanosheets. Specifically, graphite-like phase carbon nitride (g-C3N4) nanosheets are introduced and interaction networks (PGCN) are constructed by taking full advantage of the dipole-level quadrupole moment interactions between the ether-oxygen groups contained in PEO and CO2. In order to compensate the membrane surface defects for enhancing gas selectivity, we used the suspension coating method to create a PEO@g-C3N4 supported ionic liquid membrane (PGCN/ILX SILM) by coating IL on the surface of membrane. The results show that, when the IL concentration is 30 wt%, the PGCN/IL30 % membrane separates CO2/N2 with a CO2 permeance of 1396 GPU and an optimal selectivity of 58. While overcoming the “Trade-off” effect, it has demonstrated good thermal stability and long-term stable operation for 72 h. The development of this work will generate solutions for overcoming PEO crystallization and achieving efficient CO2 capture.

Construction of oxygen-doped g-C3N4/BiOCl (S-scheme) heterojunction: Efficient degradation of tetracycline in wastewater

Graphitic phase carbon nitride (g-C3N4) demonstrates significant promise in the photocatalytic degradation of organic pollutants, but the rapid recombination of photogenerated electron-hole pairs seriously restricts its degradation capacity. In this study, an innovative heterostructural anion regulation strategy based on g-C3N4 was proposed to significantly enhance the degradation performance of tetracycline. Initially, we regulated the electron configuration of g-C3N4 through O doping to optimize the active sites at the reaction interface. Subsequently, the S-scheme heterojunction was constructed by introducing BiOCl to stimulate the pumping effect and form efficient build-in electric field electron channels. The oxygen-doped g-C3N4/BiOCl (OCN/BiOCl) heterojunction material obtained through aforementioned modification exhibited a degradation efficiency of 89.33 % towards 20 mg·L−1 tetracycline (90 min light reaction, 30 min dark reaction), which was 2.5 times that of conventional g-C3N4 catalyst. In particular, density functional theory calculations and ultraviolet photoelectron spectroscopy jointly revealed the unique chemical environment and electronic structure between OCN and BiOCl due to the formation of the build-in electric field, thereby providing enhanced pathways for the migration of photogenerated currents. Meanwhile, the heterostructure significantly reduced the transport distance of photo-induced charge and minimizes the internal transmission resistance. It enhances the efficiency of separating photogenerated electrons and hole pairs, which is the key mechanism for greatly improving the photocatalytic degradation performance of OCN/BiOCl materials. In summary, the hetero-anion regulation strategy proposed in this study addresses the issue of rapid recombination of photogenerated charges in g-C3N4, providing a new perspective for efficient control of organic pollutants in the environment driven by g-C3N4 photocatalyst.

Bandgap modulations and promoted carrier separation in crystalline g-C3N4 thin films via chemical vapor deposition

The preparation of high-quality graphite-like phase carbon nitride (g-C3N4) films is challenging, which limits the potential optoelectronic and photocatalytic applications. Here, we report the growth of crystalline g-C3N4 films with thicknesses of approximately 100–200 nm on the indium tin oxide substrates by chemical vapor deposition. The films show high crystalline quality and uniformity as suggested by the appearance of interference fringes in the transmission spectra and the existence of exciton peak. The optimized growth conditions for high-quality g-C3N4 films deposition have been obtained through combined optical characterizations and detailed electronic structure analyses using x-ray spectroscopies. The as-grown g-C3N4 films exhibit a bandgap value of 3.05 eV as well as an enhanced fluorescence lifetime of ∼12.43 ns. By adding thiourea to the melamine precursors, N vacancies have been formed in the main heptazine structure, achieving the modulation of the bandgap and the promoted carrier separation. This work provides guidelines for understanding the property–structure relationships during g-C3N4 film deposition. The deposition of high crystallinity g-C3N4 films therein further extends the applications in the fields of optoelectronic and photocatalytic devices.

Facile fabrication of 3D-α-Fe2O3@2D-g-C3N4 heterojunction composite materials: Effect of iron oxide loading on the electrochemical performance

Designing heterojunction nanocomposites is crucial for optimizing supercapacitor electrodes. This study addresses the challenge by introducing a facile synthesis method for creating 3D-α-Fe2O3@2D-g-C3N4 heterojunctions through a bulk carbon nitride-assisted hydrothermal process. During this process, the growth of ferric oxide particles coincides with the exfoliation and deposition of carbon nitride, leading to simultaneous structural changes in both iron oxide and carbon nitride phases. The resulting composite's properties strongly correlate with the iron oxide loading. Comprehensive characterization using XRD, FTIR, SEM-EDAX, XPS and TEM identified three distinct structures for α-Fe2O3/g-C3N4 composites based on iron oxide loading: low, medium, and high. The medium-loaded sample demonstrated superior electrochemical performance, attributed to better interfacial contact and the formation of 3D-Fe2O3@2D-g-C3N4 heterojunctions. This composite, with an optimized 22 wt% iron oxide loading, exhibited a maximum specific capacitance of 925.1 Fg−1 at 5 mVs−1 and 498.6 Fg−1 at 6 Ag−1 in charge-discharge analysis, with stable performance over 2000 cycles. Overall, this research presents an enhanced hydrothermal method for facile preparation of effective α-Fe2O3/g-C3N4 heterojunction materials.

Defect-rich porous graphitic phase carbon nitride layer grafted MXene as desolvation promoter for efficient sulfur conversion in extremely harsh conditions

Lithium-sulfur (Li-S) batteries exhibit superior theoretical capacity and energy density but are still hindered by the sluggish redox conversion kinetic of lithium polysulfides arising from the significant desolvation barrier, especially under high current density or low-temperature environments. Herein, a two-dimensional (2D) porous graphitic phase carbon nitride/MXene (CN-MX) heterostructure with intrinsic defects was designed via electrostatic adherence and in-situ thermal polycondensation. In the design, the defect-rich CN with abundant catalytic activity and porous structure could efficiently facilitate the lithium polysulfides capture, the dissociation of solvated lithium-ion (Li+), and fast Li+ diffusion. Concurrently, 2D MXene nanosheets with high electronic conductivity could act as charge transport channels and provide electrochemical active sites for sulfur redox reactions. The Li-S cells with CN-MX heterostructure modified separator demonstrated uncommon rate performance (945 mAh/g at 4.0 C) and satisfactory areal capacity (5.5 mAh cm−2 at 0.2 C). Most remarkably, even at 0 °C, the assembled Li-S batteries performed favorable cycle stability (91.6% capacity retention after 100 cycles at 0.5 C) and outstanding rate performance (695 mAh/g at 2.0 C), and superior high loading performance (5.1 mAh cm−2 at 0.1 C). This work offers exciting new insights to enable Li-S batteries to operate in extreme environments.

Spherical g-C3N4@PDA nanocarrier for synergistic chemo-photothermal tumor therapy

In this paper, by wrapping the near-infrared (NIR) response polydopamine (PDA) as a nanocoating on the surface of spherical nano graphitic phase carbon nitride (g-C3N4), a multifunctional g-C3N4/PDA (CNP) nanocarrier platform was prepared. The π-conjugation system in PDA and the electronegative hydroxyl groups on the surface of CNP promote the creation of abundant active sites, which had a high drug loading rate of about 98.5 % for the electropositive GA. Due to the strong NIR reaction of CNP, the release of GA from CNP/GA can be greatly accelerated by the rising temperature, bonding disruption and charge transfer. Moreover, the photo-generated electron-hole pairs could be excited by the NIR effect of CNP, which promotes the production of ROS (·OH, ·O2– and 1O2) to induce apoptosis in HepG2 cells. Thus, the present spherical CNP nanocarrier with a combination of enzyme-mimic activity and NIR-responsive properties has a great potential for chemo-photothermal synergistic tumor therapy.

Efficient Rhodamine B dye uptake onto MgZrO3@g-C3N4 nanostructures: Fabrication and adsorption mechanism

Pristine graphitic carbon nitride (g-C3N4) was synthesized by calcination of urea under elevated temperature. A blend of g-C3N4 nanosheets and nanosized ZrO2 and MgO precursors were used to prepare MgZrO3@g-C3N4 hybrid nanocomposite (MZCN) then it was assessed for the adsorption of Rhodamine B (RhB) dye from aqueous solution. The X-ray diffraction analysis revealed the development of the monoclinic ZrO2, cubic MgO, and hexagonal graphitic carbon nitride phases. The energy diffraction X-rays (EDX), photoelectron electron, and Fourier transformed infrared (FT-IR) spectroscopy analyses collectively validated the formation of the presumed composite. An improved porosity with a surface area 35.86 m2.g−1 and pore volume 0.087 cm3.g−1 were determined by N2 adsorption setup. The adsorption kinetics fitted well with the pseudo-first-order model (R2 > 0.99), which designated an adsorption process influenced by physisorption. The kinetics models investigations revealed a film diffusion control of the adsorption process. The adsorption equilibrium matched perfectly with the Langmuir isotherm model (R2 > 0.99) marking a maximum adsorption capacity of 370.8 mg g−1, demonstrating outstanding monolayer adsorption process. In addition, the Freundlich constant (n = 1.76) value is falling in the range 1–10 suggested a favorable adsorption of RhB onto the composite surface. The mechanistic enquiry suggested van der Waal, hydrogen bonds and π–π electron–donor interactions between the electron-rich RhB and the functional groups in the adsorbent’s molecule. This work stipulates that MgZrO3@g-C3N4 holds promise as efficient adsorbent for organic dyes from contaminated wastewater.