Charge Rearrangement Research Articles

BCN-driven interfacial effect: A novel strategy to remarkably enhance the capacitance of Co3O4/NiO for supercapacitor

A BCN/Co3O4/NiO (BCN/CNOs) hetero-interface was developed to introduce a novel strategy that remarkably enhances the specific capacitance of transition metal oxides (TMOs). The engineered hetero-interface driven by BCN was characterized by plentiful electrons accumulation and effectively increased the specific capacitance of the as-prepared BCN/CNOs electrode to 8533 mF cm−2 at 2 mA cm−2, obtaining 154 % improvement compared to acid-treated carbon cloth loaded CNOs (ACC/CNOs). DFT theoretical calculations indicated that the BCN-driven interfacial effect primarily accelerates the charge transfer due to charge accumulation at interface between BCN and CNOs. Due to charge rearrangement at the interface, the reduced diffusion barrier of OH− on the surface of CNOs significantly improved the charge storage capacity. This research provides a universal reference basis for remarkably improving the capacitance of TMOs.

Surface charge rearrangement modulation of N, P co-doped carbon induced by iron-cobalt phosphide with cationic vacancies for efficient contaminant removal

Cationic vacancies engineering and interfacial engineering are effective strategies for transition metal phosphides (TMPs)-based electrocatalysts to modulate the electronic structure and improve the acidic stability. However, the complexity of the above dual-strategy coupling poses a challenge. Herein, a novel bifunctional electrocatalyst of N, P co-doped carbon-coated iron-cobalt phosphide with cationic vacancies (V-CoFeP@NPC/CC) is synthesized. The physicochemical properties and electrochemical behaviour of V-CoFeP@NPC/CC can be modulated through regulating the cationic vacancies type on CoFeP. Density function theory (DFT) calculation reveals that cationic vacancies, especially bicationic vacancies, endow electrocatalysts stronger charge transfer, strengthened charge rearrangement, optimized intermediate adsorption energy and lower energy barriers. As expected, the resulting V-CoFeP@NPC/CC electrocatalysts displays excellent durability, strong mineralisation capacity and wide adaptability, which can remove nearly 100 % tetracycline within 60 min. Encouragingly, V-CoFeP@NPC/CC also demonstrate satisfactory performance in simultaneous electrooxidative removal of contaminant and hydrogen evolution reaction. This study offers new insight into design and regulate TMPs-based electrocatalysts via introducing cationic vacancies and modulating multi-components.

Accelerated Ion-Electron Transport in Bi-Heterostructures Constructed Based on Ohmic Contacts for Efficient Bi-Directional Catalysis of Lithium-Sulfur Batteries.

Although lithium-sulfur batteries have satisfactory theoretical specific capacity and energy density, they are difficult to further commercialize due to the shuttle effect of soluble polysulfides and slow sulfur oxidation kinetics. Based on this, in this work, the catalyst MXene-VS4-SnS2 (MVS), a dual heterostructured catalyst with ohmic contacts, is prepared by a one-step hydrothermal method and electrostatic self-adsorption for lithium-sulfur battery cathode materials. Experimental and theoretical results show that the ohmic contact induces spontaneous charge rearrangement, resulting in the formation of a fast charge transfer pathway at the MVS heterojunction interface, which helps to reduce the energy barrier for polysulfide reduction and Li2S oxidation during the discharge/charge process. In addition, the inherent sulfophilicity of VS4 and SnS2 promotes the conversion of S species, while the pleated MXene nanosheets not only provide a highly conductive network for the active sulfur but also retain a rich internal space to maintain the integrity of the cathode structure during the continuous cycling process. As a result, the MVS cathode exhibits excellent electrochemical performance even under high sulfur loading. The integration of excellent performance with a facile synthesis process provides a promising approach for designing highly efficient electrocatalysts suitable for the energy field.

A molecular-chemistry-manipulation strategy toward functional lignin-based porous carbon nanospheres with tunable-pore structure

Porous carbon nanospheres derived from biomass materials have inspired numerous interests in various areas. Nevertheless, their fabrications mainly depend on template-assisted or chemical activation routes. Here, a molecular-chemistry-manipulation strategy was proposed innovatively by taking advantage of the heterogeneous self-condensation characters of lignin molecules under thermal stimulation, opening a practical and versatile synthetic platform for the construction of lignin-based hierarchical porous carbon nanospheres (LHPCS). We can manipulate the condensed kinetics by tuning the environmental variables and forming designated nanospheres with inhomogeneous molecular chemistry. This intraparticle difference could provide a possibility to tune its refined structure for synthesizing hierarchical porous carbon nanospheres. Such LHPCS behaved the specific surface area of 962 m2 g−1 and pore volume of 0.76 cm3 g−1, as well as regulable pore ratios (15.5–22.9 % of macropore, 12.7–37 % for mesopore and 45–68.9 % for micropore). Besides, the monodisperse spherical morphology with hierarchical interleaved channels affords them excellent performance in optical management and energy storage, including pore-determined photothermal properties, extremely low reflectance of ca. 1.9 %, stable multi-angles specular reflectance, and anti-self-discharge induced by charge rearrangement. Our proposed molecular chemistry strategy provides an alternative pathway for constructing gradient and adjustable pore structures.

Regulating Atomically-Precise Pt Sites for Boosting Light-Driven Dry Reforming of Methane.

Light-driven dry reforming of methane is a promising and mild route to convert two greenhouse gas into valuable syngas. However, developing facile strategy to atomically-precise regulate the active sites and realize balanced and stable syngas production is still challenging. Herein, we developed a spatial confinement approach to precisely control over platinum species on TiO2 surfaces, from single atoms to nanoclusters. The configuration comprising single atoms and sub-nanoclusters engenders pronounced electronic metal-support interactions, with resultant interfacial states prompting surface charge rearrangement. The unique geometric and electronic properties of these atom-cluster assemblies facilitate effective activation of CH4 and CO2, accelerating intermediate coupling and minimizing side reactions. Our catalyst exhibits an outstanding syngas generation rate of 34.41 mol gPt -1 h-1 with superior durability, displaying high apparent quantum yield of 9.1 % at 365 nm and turnover frequency of 1289 h-1. This work provides insightful understanding for exploring more multi-molecule systems at an atomic scale.

Regulating Atomically‐Precise Pt Sites for Boosting Light‐Driven Dry Reforming of Methane

AbstractLight‐driven dry reforming of methane is a promising and mild route to convert two greenhouse gas into valuable syngas. However, developing facile strategy to atomically‐precise regulate the active sites and realize balanced and stable syngas production is still challenging. Herein, we developed a spatial confinement approach to precisely control over platinum species on TiO2 surfaces, from single atoms to nanoclusters. The configuration comprising single atoms and sub‐nanoclusters engenders pronounced electronic metal‐support interactions, with resultant interfacial states prompting surface charge rearrangement. The unique geometric and electronic properties of these atom‐cluster assemblies facilitate effective activation of CH4 and CO2, accelerating intermediate coupling and minimizing side reactions. Our catalyst exhibits an outstanding syngas generation rate of 34.41 mol gPt−1 h−1 with superior durability, displaying high apparent quantum yield of 9.1 % at 365 nm and turnover frequency of 1289 h−1. This work provides insightful understanding for exploring more multi‐molecule systems at an atomic scale.

Ultra-Fast Synthesis of Highly Dispersed Pt Nanoclusters Anchored on Sulfur-Doped Porous Carbon Carriers by Nanosecond Pulsed Laser for Hydrogen Evolution Reaction.

Nanosecond pulsed laser irradiation is employed for synthesis of highly active and stable Pt-based electrocatalysts by anchoring Pt nanoclusters on porous sulfur-doped carbon supports (L-Pt/SC). Strong metal-support interaction (SMSI) between Pt and S induces a local charge rearrangement and modulates the electronic structure of Pt surroundings, thus boosting the reaction kinetics and enhancing stability in long-term hydrogen evolution reaction (HER). The L-Pt/SC catalyst exhibits high activity toward HER, with an overpotential of 23 mV at current densities reaching 10 mA cm-2 and a Tafel slope of 24mV dec-1. The unit mass activity of L-Pt/SC is calculated to be -10.8 A cm-2 mgPt -1 at an applied voltage of -0.3V versus RHE. In situ Raman spectra reveals that L-Pt/SC catalyst exhibits fast hydrogen production efficiency and its electrocatalytic HER process is determined by the Tafel step. Density functional theory calculations suggest the strong bonding energy between SC and Pt induces the formation of smaller nanoclusters of L-Pt/SC during fast pulsed laser preparation, which increases the effective contact area during the HER process thereby increasing the activity per unit mass.

Mo-Induced Surface Reconstruction in Ni/Co-OOH Prickly Flower Clusters for Improving the Hydrogen Production in Alkaline Seawater Splitting.

Seawater electrolysis is the most promising technology for hydrogen production, in which surface reconstruction on the interface of electrode/electrolyte plays a crucial role in activating the catalytic reactions with a low activation energy barrier. Herein, an efficient Mo modifying NiCoMo prickly flower clusters electrocatalyst supported on nickel foam (Mo-doped Ni/Co-OOH prickly flower clusters) is obtained, which serves as an eminently active and durable catalyst for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) due to the surface reconstruction during the alkaline seawater electrolysis with ultralow overpotentials. It just requires a cell voltage of 1.52V to achieve the current density of 10mAcm-2 for water electrolysis along with robust durability over 30h. Mo doping effectively regulates the surface reconstruction of Ni/Co-OOH, which facilitates the adsorption of oxygen-containing intermediates on the active center, and the nonhomogeneous interface induces charge rearrangement for the catalytic process to improve efficiency, providing a new strategy for revealing the seawater electrolytic mechanism.

Free-standing FeNiCuCoBMo high-entropy alloy bifunctional electrocatalysts for efficient pH-universal water electrolysis

Utilizing the synergistic effects of multi-components has been proven to be a feasible approach to enhance water splitting electrocatalytic activity, since developing efficient and stable bifunctional electrocatalysts within a wide pH range remains a significant challenge. Herein, we report a FeNiCuCoBMo high-entropy alloy (HEA) prepared by dealloying, showing outstanding bifunctional electrocatalytic performance for HER and OER in a pH-universal electrolyte. After dealloying for 7 h, the HER and OER overpotentials of the HEA strips in 1.0 M KOH decreased by 22 mV and 25 mV, respectively.Impressively, the free-standing strips with the optimal compositions achieve low HER (82 mV in acid and 101 mV in alkali at 10 mA·cm−2) and OER (311 mV in acid and 245 mV in alkali at 10 mA·cm−2) overpotentials. In a full hydrolysis experiment, a current of 10 mA·cm−2 can run for 100 h with only 1.58 V, which is attributed to the ample exposure of highly active sites resulting from the synergistic effect of each element. Theoretical calculations further support these findings, showing that the electronegativity differences of the metallic elements in FeNiCuCoBMo result in abnormal activity at specific locations (Fe and Mo).Additionally, charge rearrangement and enhanced electronic conduction at the interface reduce the activation energy barrier, thereby improving the performance of the electrocatalysts.

Enhancing electrocatalytic nitrate/nitric oxide reduction to NH3 on two-dimensional p-block InSe monolayer via defect engineering

Electrochemical nitrate/nitric oxide (NO3−/NO) reduction to ammonia (NH3) is an environmentally friendly and sustainable strategy that mitigates pollutants while synthesizing value-added products NH3. Despite the prevalence of transition metal-based catalysts, the exploration of inexpensive two-dimensional (2D) p-block materials is needed in NH3 synthesis. Based on density functional theory calculations, we proposed an InSe monolayer with single Se vacancy as an outstanding catalyst for NO3RR and NORR. The catalyst exhibits exceptional catalytic performance, characterized by a low limiting potential comparable to that of most transition metal-based catalysts, and efficaciously suppresses the formation of competitive by-products. Successful adsorption and activation of NO3− and NO molecules are achieved, attributed to the charge rearrangement around the vacancy. The electronic structure analysis reveals that the enhancement of activity stems from the upward shift of the p-band center of unsaturated indium atoms. This work heralds a novel avenue for designing pure 2D p-block NH3 synthesis catalysts and sheds light on a deeper understanding of the catalytic mechanism at the electronic level.

Hollow Octahedral Pr6O11‐Mn2O3 Heterostructures for High‐Performance Aqueous Zn‐Ion Batteries

AbstractMn‐based oxides are broadly prospected cathode materials for aqueous Zn‐ion batteries (AZIBs) due to their rich abundance, low cost, and plentiful valence states. However, the further development of Mn‐based oxides is severely restricted by the dissolution of active materials and poor structural stability. Herein, hollow octahedral Pr6O11‐Mn2O3 (denoted as PrO‐MnO) heterostructures are developed through a facile metal–organic framework‐engaged templating approach, which realizes boosted Zn ion storage performance. Pr6O11 can not only effectively suppress the dissolution of Mn to stabilize Mn2O3 but also induce interfacial charge rearrangement and promote electron/ion transfer, contributing to the improved electrochemical activity and stability of PrO‐MnO. Moreover, the rationally designed hollow nanostructure offers sufficient active sites and facilitates the reaction kinetics. As expected, the PrO‐MnO cathode exhibits excellent rate and cycling performance with a high reversible capacity of 140.8 mAh g−1 after 2000 cycles at 1 A g−1, outperforming the Mn2O3 cathode.

Oxygen-Vacancy-Induced Enhancement of BiVO4 Bifunctional Photoelectrochemical Activity for Overall Water Splitting.

Hydrogen generation via photoelectrochemical (PEC) overall water splitting is an attractive means of renewable energy production so developing and designing the cost-effective and high-activity bifunctional PEC catalysts both for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) has been focused on. Based on first-principles calculations, we propose a feasible strategy to enhance either HER or OER performance in the monoclinic exposed BiVO4 (110) facet by the introduction of oxygen vacancies (Ovacs). Our results show that oxygen vacancies induce charge rearrangements, which enhances charge transfer between active sites and adatoms. Furthermore, the incorporation of oxygen vacancies reduces the work function of the system, which makes charge transfer from the inner to the surface more easily; thus, the charges possess stronger redox capacity. As a result, the Ovac reduces both the hydrogen adsorption-free energy (ΔGH*) for the HER and the overpotential for the OER, facilitating the PEC activity of overall water splitting. The findings provide not only a method to develop bifunctional PEC catalysts based on BiVO4 but also insight into the mechanism of enhanced catalytic performance.

Tuning p‐Band Centers and Interfacial Built‐In Electric Field of Heterostructure Catalysts to Expedite Bidirectional Sulfur Redox for High‐Performance Li–S Batteries

AbstractTransition‐metal compound based heterostructures hold promise but challenge in expediting stepwise sulfur redox because of their inferior adsorption‐catalysis activity and unclear mechanism in Li–S batteries (LSBs). Herein, the p‐band centers and interfacial charge rearrangement of Mo‐doped VS2/MXene heterostructure are tuned through Mo doping and built‐in electric field (BIEF) effect to boost dual‐directional sulfur redox. Experimental and theoretical calculations demonstrate that Mo doping tunes the p‐band center of active S in VS2, shifting it positively toward the Fermi level to enhance the polysulfide adsorption ability and electrocatalytic activity. Whereas BIEF between Mo‐VS2 and MXene accelerates electrons transfer from MXene to Mo‐VS2 surface, generating more electrons accumulation at the surface‐S sites. Their synergy accelerates sulfur‐species conversion by reducing the energy barrier of polysulfide reduction and Li2S oxidation. Ultimately, S/Mo‐VS2/MXene cathode exhibits large initial capacity of 1387 mAh g−1at 0.2 C and stable 500‐cycle long‐term lifespan at 0.5 C. Impressively, the thick S/Mo‐VS2/MXene cathode (S loading: 5.4 mg cm−2, lean electrolyte: 4.5 µL mgsulfur−1) achieves a high areal capacity of 6.44 mAh cm−2 with 91.5% retention for 61 cycles. This work highlights the synergistic strategy of doping engineering and BIEF to tune the p‐band centers and interfacial charge rearrangement for designing high‐performance LSBs.

Disulfide-Driven Charge and Hydrophobicity Rearrangement of Remodeled Membrane Proteins toward Amyloid-Type Aggregation.

As a common pathological hallmark, protein aggregation into amyloids is a highly complicated phenomenon, attracting extensive research interest for elucidating its structural details and formation mechanisms. Membrane deposition and disulfide-driven protein misfolding play critical roles in amyloid-type aggregation, yet the underlying molecular process remains unclear. Here, we employed sum frequency generation (SFG) vibrational spectroscopy to comprehensively investigate the remodeling process of lysozyme, as the model protein, into amyloid-type aggregates at the cell membrane interface. It was discovered that disulfide reduction concurrently induced the transition of membrane-bound lysozyme from predominantly α-helical to antiparallel β-sheet structures, under a mode switch of membrane interaction from electrostatic to hydrophobic, and subsequent oligomeric aggregation. These findings shed light on the systematic understanding of dynamic molecular mechanisms underlying membrane-interactive amyloid oligomer formation.

Hypervalent Chalcogen Bonds Catalysis on the Intramolecular Aza-Michael Reaction of Aminochalcone: Catalytic Performance and Chalcogen Bond Properties.

Chalcogen bond (ChB) catalysis, as a new type in the field of non-covalent bond catalysis, has become a hot research topic in the field of organocatalysis in recent years. In the present work, we investigated the catalytic performance of a series of hypervalent ChB catalysis based on the intramolecular Aza-Michael reaction of aminochalcone. The reaction includes the carbon-nitrogen bond coupling step (key step) and the proton transfer step. The catalytic performance of mono-dentate pentafluorophenyl chalcogen bond donor ChB1 was comparable to that of bis-dentate chalcogen bond donor ChB4, and stronger than that of mono-dentate chalcogen bond donors ChB2 and ChB3. The formation of the chalcogen bond between the catalyst and the carbonyl oxygen atom of the reactant, causing the charge rearrangement of the reactant and C(1) charge of the -C-Ph group to become more positive, thereby the ChB catalysis promoted the nucleophile reaction. The electron density of the chalcogen bond of the pre-complex, the most positive electrostatic potentials of the catalyst, and the NPA charge of the key atom are proportional to the Gibbs energy barrier of the C-N bond coupling process, which provides an idea to predict the catalytic activity of the ChB catalysis.

Ti Single Atom Enhancing Pt‐Based Intermetallics for Efficient and Durable Oxygen Reduction

AbstractThe insufficient durability of Pt‐based catalysts and the sluggish kinetics of oxygen reduction reaction (ORR) is hampering the development of proton exchange membrane fuel cells (PEMFCs) for commercialization. Herein, a single atom Ti‐modified activated nitrogen‐doped porous carbon (Ti‐a‐NPC) is designed to equalize O2‐activation/*OH‐removal through regulating the charge rearrangement of ultra‐small L12‐Pt3Co for efficient and durable oxygen reduction. The Ti single‐atom modified in the surface/pore of Ti‐a‐NPC can anchor the Pt‐based intermetallic nanoparticles (NPs) not only guarantees Pt‐based intermetallics’ ultra‐fine size (≈2.62 nm) but also maintains Pt‐based intermetallics during ORR process. The enhanced catalyst (L12‐Pt3Co/Ti‐a‐NPC) achieves 11‐fold mass activity (1.765 A mgPt−1) compared to commercial Pt/C. Notably, after 30 000 cycles of accelerated durability tests, the mass activity of the L12‐Pt3Co/Ti‐a‐NPC only decreased by 3.7%, while that of commercial Pt/C decreased by 37.1%. Rationalized by theoretical simulation, the introduction of Ti atoms can form charge channels between L12‐Pt3Co NPs and Ti‐a‐NPC, accelerating the charge transfer in the ORR process. Furthermore, the charge of L12‐Pt3Co will accumulate to Ti atoms and buffer the electron transfer of L12‐Pt3Co to the N atoms, thus optimizing the adsorption performance of the active site to the oxygen‐containing intermediate and improving the intrinsic activity of the catalyst.

Engineering atomically dispersed dual Pt–Ni sites on nitrogen-doped carbon with spherical core-shell structure for enhanced oxygen reduction activity towards microbial fuel cell

Inspired by the development of efficient, durable electrocatalytic functional materials to address the issues of kinetic retardation and mass transport to enhance oxygen reduction reaction (ORR), one strategy is proposed for core-shell structural nitrogen-doped carbon with atomically dispersed binary platinum-nickel (Pt–Ni) atoms (N–C@Pt–Ni/N–C) with controlled bimetallic sites and adjusted electronic coordination environment. Practical application of experimental and simulated theoretical calculation results show the coordination microenvironment optimization for active site can promote the charge rearrangement of Pt–Ni sites, thus regulating the free energy of the reaction intermediates of oxygen-containing species. The N–C@Pt–Ni/N–C reveals astounding catalytic capacity during ORR, leading to a large power density (1472.6 ± 50.6 mW m−2) and long-term reliability (OCP by the current loss with 0.1 mA) in the actual microbial fuel cells. This work not only reveals controllable preparation of functional materials with binary isolated atomic dispersion, but also presents more perspective of electronic structure optimal performance enhancement relationship at the atomic-sized active sites.

Electronic Metal‐Support Interactions Boost *OOH Intermediate Generation in Cu/In2Se3 for Electrochemical H2O2 Production

AbstractTwo‐electron oxygen reduction reaction (2e− ORR) is a promising method for the synthesis of hydrogen peroxide (H2O2). However, high energy barriers for the generation of key *OOH intermediates hinder the process of 2e− ORR. Herein, we prepared a copper‐supported indium selenide catalyst (Cu/In2Se3) to enhance the selectivity and yield of 2e− ORR by employing an electronic metal–support interactions (EMSIs) strategy. EMSIs‐induced charge rearrangement between metallic Cu and In2Se3 is conducive to *OOH intermediate generation, promoting H2O2 production. Theoretical investigations reveal that the inclusion of Cu significantly lowers the energy barrier of the 2e− ORR intermediate and impedes the 4e− ORR pathway, thus favoring the formation of H2O2. The concentration of H2O2 produced by Cu/In2Se3 is ~2 times than In2Se3, and Cu/In2Se3 shows promising applications in antibiotic degradation. This research presents a valuable approach for the future utilization of EMSIs in 2e− ORR.

Electronic Metal-Support Interactions Boost *OOH Intermediate Generation in Cu/In2Se3 for Electrochemical H2O2 Production.

Two-electron oxygen reduction reaction (2e- ORR) is a promising method for the synthesis of hydrogen peroxide (H2O2). However, high energy barriers for the generation of key *OOH intermediates hinder the process of 2e- ORR. Herein, we prepared a copper-supported indium selenide catalyst (Cu/In2Se3) to enhance the selectivity and yield of 2e- ORR by employing an electronic metal-support interactions (EMSIs) strategy. EMSIs-induced charge rearrangement between metallic Cu and In2Se3 is conducive to *OOH intermediate generation, promoting H2O2 production. Theoretical investigations reveal that the inclusion of Cu significantly lowers the energy barrier of the 2e- ORR intermediate and impedes the 4e- ORR pathway, thus favoring the formation of H2O2. The concentration of H2O2 produced by Cu/In2Se3 is ~2 times than In2Se3, and Cu/In2Se3 shows promising applications in antibiotic degradation. This research presents a valuable approach for the future utilization of EMSIs in 2e- ORR.

Facile synthesis of Pd loaded g-C3N4/TiO2 heterojunction catalyst with enhanced photothermal catalytic performance in Suzuki coupling under moderate condition

Photothermal synergistic catalysis of Suzuki-Miyaura coupling reaction not only utilizes the solar energy efficiently, but also reduces the energy consumption. It is a green organic synthesis method for constructing C–C bonds, which has a wide application. In this work, we constructed a PdO/g-C3N4/TiO2 bilayer tubular structure material with a heterojunction structure by a simple and effective method. The catalyst exhibited efficient photothermal synergistic catalytic performance in Suzuki coupling reaction under visible light irradiation. The influence of the catalyst’s structure, morphology, composition, and photothermal response on the Suzuki coupling reaction were discussed based on a series of characterizations and activity test of the catalyst. The results showed that the PdO/g-C3N4/TiO2 catalyst contained an effective g-C3N4/TiO2 heterojunction structure. Under visible illumination, the differences in interfacial charge concentration and electron affinity between these two different types of semiconductors lead to charge rearrangement and transfer, which greatly improves the carrier separation efficiency. Meanwhile, palladium metal exhibits excellent electron deposition effects, both as an active metal center for SMC reactions and as an electron acceptor for facilitating photoelectron transfer. Electron-rich palladium atoms play an important role in C–C bond formation reactions, improving catalytic efficiency. The PdO/g-C3N4/TiO2 catalyst has excellent catalytic activity and can catalyze the SMC reaction under visible light and at 0 ℃, the yield reached 85.6%, which is comparable to the activity of thermal catalysis for 15 minutes. Furthermore, after five cycles, the PdO/g-C3N4/TiO2 catalyst still maintained an 83.1% yield, demonstrating excellent cycle stability. This article offers an effective strategy for preparing heterojunction catalyst with visible light response for photothermal reaction and presents the potential of these catalysts as a way to improve the efficiency and sustainability of Suzuki coupling reactions.