O2 Molecules Research Articles

Neuron Modulation by Synergetic Management of Redox Status and Oxidative Stress.

The transient receptor potential (TRP) channel is a key sensor for diverse cellular stimuli, regulating the excitability of primary nociceptive neurons. Sensitization of the TRP channel can heighten pain sensitivity to innocuous or mildly noxious stimuli. Here, reversible modulation of TRP channels is achieved by controlling both the light-induced photoelectrochemical reaction to induce neuronal depolarization, and antioxidants for neuronal protection. It is based on a hybrid nanosystem, CZPN, created by coating CeO2 nanocrystals with the metalloporphyrin ZnTPyP. Light irradiation triggers an electrochemical response, with efficient electron injection from ZnTPyP to CeO2, converting Ce4+ into Ce3+ as antioxidants. Meanwhile, the charge migrates from surrounding O2 molecules to the hole-injected ZnTPyP*, giving rise to reactive oxygen species (ROS). This change in the redox environment sensitizes TRP channels, eliciting action potentials in primary rat neurons, and is partially blocked by pretreatment with capsazepine. The resulting CeO2-x, with a high Ce3+/Ce4+ ratio, can scavenge excessive ROS to prevent oxidative damage. The light-induced pain behaviors in mice pre-injected with CZPN are further confirmed. This work suggests a safe, effective, and universal approach to photoelectrochemical processes for modulation and research of the peripheral nervous system.

Observation of O2 Molecules Inserting into Fe-H Bonds in a Ferrous Metal-Organic Framework.

Exploring the interactions between oxygen molecules and metal sites has been a significant topic. Most previous studies concentrated on enzyme-mimicking metal sites interacting with O2 to form M-OO species, leaving the development of new types of O2-activating metal sites and novel adsorption mechanisms largely overlooked. In this study, we reported an Fe(II)-doped metal-organic framework (MOF) [Fe3Zn2H4(bibtz)3] (MAF-203, H2bibtz = 1H,1'H-5,5'-bibenzo[d][1,2,3]triazole), featuring an unprecedented tetrahedral Fe(II)HN3 site. This MOF exhibits selective adsorption behavior for O2 from air, achieving an O2/N2 separation selectivity of up to 67.1. Breakthrough experiments confirmed that MAF-203 can effectively capture O2 from the air even under a high relative humidity of 60%. X-ray absorption spectroscopy, in situ diffuse reflectance infrared Fourier transform spectra, and ab initio molecular dynamics simulations were utilized to monitor the O2 loading process on the Fe(II)HN3 site. Interestingly, O2 molecules could insert into the Fe-H bonds of the tetrahedral FeIIHN3 sites, forming FeIII-OOH species (instead of the commonly observed Fe-OO species) with an ultrahigh adsorption enthalpy of -99.2 kJ mol-1. Consequently, the O2 capture behavior of MAF-203 enables efficient electrochemical 2e- oxygen reduction for the production of H2O2 with air as the feedstock. Specifically, in a solid-state electrolyte electrolyzer without any liquid electrolyte, MAF-203 achieved selective O2 capture and continuous production of medical-grade H2O2 (3.2 wt %) solution without salts for 70 h, with performance comparable to that under pure O2 conditions. The O2 adsorption and activation mechanisms inaugurate a fresh chapter in grasping the interaction between O2 molecules and metal sites.

Tunable Catalytic Vertex Wall Chemistry in Metal-free Covalent Organic Frameworks for Enhanced Oxygen Reduction.

Metal-free covalent organic frameworks (COFs) have emerged as promising catalysts for the oxygen reduction reaction (ORR) because of their unique structural properties and notable stability. To enhance both catalytic activity and selectivity, a variety of linkers and linkages have been investigated in efforts to precisely engineer COFs. However, the impact of vertex structures within COFs on ORR catalysis remains largely underexplored. Here, to modulate COF catalytic performance, we introduce tunable catalytic vertex wall chemistry by introducing diverse triazine and thiophene units. The catalytic vertex wall approach allows the fine-tuning of electronic surface states, leading to improved intermediate adsorption characteristics and accelerated ORR activity. Remarkably, the engineered COF achieved a half-wave potential of 0.76 V, surpassing COFs modified by linker or linkage strategies. Theoretical calculations suggest that this enhanced activity arises from the strong binding affinity of OOH* intermediates to carbon atoms adjacent to the thiophene vertex, facilitating OOH* reduction to a O2 molecule, which is the rate-limiting step of the ORR. These findings reveal the pivotal role of vertex wall engineering in conjugated COF frameworks, and offer critical insights to advance COFs design toward superior ORR performance.

Average Time-Delays for the Scattering of O Atoms from O2 Molecules.

We report full quantum-computed average microcanonical, initial state-specific, and canonical cumulative time-delays associated with the O + O2 scattering, presented as a function of total energy (in relation to an idealized molecular beam experiment) or temperature (for the properties of the gas phase in bulk conditions). We show that these quantities are well-defined and computable, with a temperature-dependent (canonical) time-delay presenting a smooth, monotonic decreasing behavior with temperature, despite an energy-dependent (microcanonical) time-delay of apparent chaotic character. We discuss differences in behavior when considering isotopic variations, 18O + 16O16O and 16O + 16O18O, with respect to the reference process 16O + 16O16O and reveal a greater magnitude of the cumulative time-delay when genuinely reactive events can take place, in the presence of 18O. These results constitute an addition to more conventional fashions (like cross sections and rate constants) of displaying information related to collisions in various experimental contexts.

Enhancing Catalytic Removal of Autoexhaust Soot Particles via the Modulation of Interfacial Oxygen Vacancies in Cu/CeO2 Catalysts.

The purification efficiency of autoexhaust carbon strongly depends on the heterogeneous interface structure between active metal and oxide, which can modulate the local electronic structure of defect sites to promote the activation of reactant molecules. Herein, the high-dispersion CuO clusters supported on the well-defined CeO2 nanorods were prepared using the complex deposition slow method. The formation of heteroatomic Cu+-Ov-Ce3+ interfacial structural units as active sites can capture electrons to achieve activation of the NO and O2 molecules. Among all of the synthesized catalysts, the Cu10/CeO2 catalyst exhibits superior catalytic performance (T50 = 351 °C) along with remarkable tolerance to H2O and SO2 in the removal of soot particles. Through a combination of comprehensive characterizations and density functional theory calculations, it is proposed that the interfacial Cu+-Ov-Ce3+ site, acting as an electron enrichment center, can capture electrons from the Cu d-band and Ce d/f-band to obtain high delocalized electron density, and then enhance the oxidation of NO to NO2, which plays a crucial role in the NOx-assisted catalytic mechanism for soot oxidation. This study presents a novel strategy for developing highly efficient catalysts that exhibit resistance to H2O and SO2, aimed at enhancing the removal of soot particles.

Gas-Phase Scattering of Transition Metal Atoms Fe, Ir, and Pt with CH4, O2, and CO2.

Understanding the interactions between transition metal atoms and molecules is important for the study of various related chemical and physical processes. In this study, we have investigated collisions between iron (Fe), iridium (Ir), and platinum (Pt) and the small molecules CH4, O2, and CO2 using a crossed-beam and time-sliced ion velocity map imaging technique. Elastic collisions were observed in all cases, except for collisions of Pt with O2 and CO2. Collisions of Fe or Ir with CH4, O2, and CO2 show mainly long-range attractive potentials at large impact parameters leading to forward scattering, whereas sideways and backward scatterings indicate the formation of short-lived complexes with lifetimes comparable to their rotational periods. In collisions of Pt with O2 and CO2, Pt may react with the gases and become chemically bound to them, which can deplete the nonreactive scattering signal. The insights gained from this study provide a foundation for improved understanding of the complex interactions between transitional metal atoms and other molecules.

What Factors Determine the Brevione B Desaturation Mechanism in the Nonheme Iron Dioxygenase BrvJ?

The natural product synthesis of brevione J undergoes a cascade of reactions including an oxidative desaturation and a ring-expansion. The C1-C2 desaturation of brevione B is catalyzed by the nonheme iron dioxygenase BrvJ using one molecule of O2 and a-ketoglutarate (aKG). However, whether the subsequent oxidative ring expansion reaction is also catalyzed by the same enzyme is unknown and remains controversial. To gain insight into the mechanism of brevione J biosynthesis a computational study is reported here using molecular dynamics and density functional theory approaches. The work predicts that both cycles can proceed in the same protein structure on an iron center with O2 and aKG for each cycle. The rate-determining step is a hydrogen atom abstraction step in both reaction cycles. Interestingly, the OH rebound barriers are high in energy in cycle 1 due to stereochemical interactions and substrate positioning that enable an efficient desaturation reaction.

Study of the influence of dry air on the plasma parameters in a cascaded arc Ar plasma using laser Thomson scattering approach

Abstract In this work, the influence of dry air on the electron density (ne ) and electron temperature (Te ) in a cascaded arc Ar plasma is firstly studied by the state-of-the-art laser Thomson scattering approach. The results reveal that a small amount of dry air can induce a sharp drop in ne , which is ascribed by the dissociative recombination reactions between electron and molecular ions formed in charge transfer reactions. With the increase in dry air ratio, Te exhibits a non-monotonic trend which initially increases and then decreases. This should be caused by the cooperation between super-elastic collision with highly vibrationally excited molecules and electron impact vibrational excitation to molecules. Additionally, the calculated electron density (ne cal ) and electron temperature (Te cal ) are derived using ne and Te obtained from the separate additions of N2 and O2, along with the respective proportions of N2 and O2 in dry air. It is found that both ne cal and Te cal closely match the experimentally measured values in dry air, which indicates that the impact on ne and Te are mainly dominated by N2 and O2 molecules and the interplay between nitrogen and oxygen, has minimal effect on the plasma parameters.

Fermi Level Shifts of Organic Semiconductor Films in Ambient Air.

Here, the Fermi level (EF) shifts of several donor and acceptor materials in different atmospheres are systematically studied by following the work function (WF) changes with Kelvin probe measurements, ultraviolet photoelectron spectroscopy, and near-ambient pressure X-ray photoelectron spectroscopy. Reversible EF shifts are found with the trend of higher WFs measured in ambient air and lower WFs measured in high vacuum compared to the WFs measured in ultrahigh vacuum. The EF shifts are energy level and morphology-dependent, and two mechanisms are proposed: (1) competition between p-doping induced by O2 and H2O/O2 complexes and n-doping induced by H2O; (2) polar H2O molecules preferentially modifying the ionization energy of one of the frontier molecular orbitals over the other. The results provide a deep understanding of the role of the O2 and H2O molecules in organic semiconductors, guiding the way toward air-stable organic electronic devices.

The Inhibition Effect of CO2-N2 Composite Gas on Spontaneous Combustion of Coal and the Law of Competitive Adsorption in Coal

ABSTRACT The purpose of this study is to study the effect of CO2-N2 composite gas on coal spontaneous combustion index gas and the mechanism of inhibiting coal spontaneous combustion through a competitive adsorption process and to provide theoretical guidance for adopting inert injection fire prevention and control technology in goaf to prevent coal spontaneous combustion. The programmed temperature experiment and gas chromatography were used to analyze the indicator gas after injecting different mixed ratios of CO2 and N2 inert gas. In the whole oxidation heating process (25–300 ℃), the generation of indicator gas and the peak point of gas ratio showed an apparent “Hysteresis phenomenon” and the more significant the proportion of CO2 in the composite inert gas, the more pronounced the “Hysteresis phenomenon.” Even in the CO2-dry air environment, the peak point disappears, indicating that with the injection of N2 and CO2, the coal body is in a more complex gas atmosphere, and a variety of gases are in the process of adsorption and desorption on the inner and outer surfaces of the coal body. The characteristics of the evolution of the spontaneous combustion oxidation process of coal are more complex, directly affecting the coal-oxygen interaction, thus affecting the intuitive combustion oxidation process. Molecular simulation studies the characteristics of coal molecules on CO2, N2, and O2. The results show that the adsorption capacity and adsorption energy of coal molecules on CO2 molecules are more significant than O2 and N2, and there is a competitive adsorption relationship between CO2 and N2 molecules and O2 molecules, and the competitive adsorption capacity of CO2 is more significant than N2. It shows that the composite inert gas can inhibit the coal-oxygen adsorption by competitive adsorption to displace oxygen and achieve the combustion inhibition effect. The experimental and theoretical basis for developing and improving inert gas fire extinguishing technology is provided by studying the index gas after CO2-N2 composite inert gas action and the adsorption capacity and energy in the competitive adsorption process.

Assembling Gold Icosahedrons to Superatomic Molecules Mimicking the Bonding Rules in Molecules.

Icosahedral gold clusters with high-symmetry geometry and magic electronic shells are potential candidates for cluster-assembling, while their assembling rules are still awaiting further investigation. In this work, we use the all-metal icosahedral M@Au12 as a building block to assemble a series of bi-, tri-, tetra-, and penta-superatomic molecules with diverse superatomic bonding patterns via face-fusion, aiming to systemically explore the bonding rule of superatoms. Chemical bonding analyses indicate that these bi-, tri-, tetra-, and penta-superatomic molecules [M@Au12]n+/0 (M = Re, W, Ta, Ti, Hf, Ir, and Pt) can be considered electronic analogues to Cl2, O2, N2, CO, O3, CO2, NCl3, and CF4 molecules with single, double, triple, and multicenter bonds, respectively. In multi-superatomic molecules, the central superatom undergoes super S-P orbital hybridizations to form super σ bonds with each peripheral superatom, mimicking the bonding rules of molecules. Due to the large size of superatoms, superatomic molecules also present some distinct bonding characters in structure and relative energy compared to their analogues. This paper systemically investigated the superatomic bonding rules, giving references to further design and synthesis of superatom-assembled materials.

Highly selective adsorption of MoS2/ZnO heterojunctions for SO2 and H2S gas molecules: A DFT study

Highly selective adsorption of MoS2/ZnO heterojunctions for SO2 and H2S gas molecules: A DFT study

Measurements and kinetic modeling of O2 vibrational kinetics in O2–Ar mixtures partially dissociated by a Ns pulse discharge

Abstract Vibrational kinetics of O2 is studied during the O atom recombination in an O2-Ar mixture, partially dissociated by a burst of ns discharge pulses in a heated plasma flow reactor. The time-resolved temperature in the discharge afterglow is determined by Rayleigh scattering. Time-resolved O atom number density is measured by ps Two-Photon absorption Laser Induced Fluorescence (TALIF), calibrated in xenon. Time-resolved vibrational level populations of molecular oxygen, O2(v=8-20), are measured by ps Laser Induced Fluorescence (LIF), with the absolute calibration by NO LIF. Time-resolved ozone number density is monitored by broadband UV absorption. The results are compared with the predictions of a state-specific kinetic model. The experimental data indicate a rapid initial decay of O2(v) populations generated by electron impact in the discharge, due to the vibration-translation (V-T) relaxation by O atoms. This is followed by a slower population reduction, on the time scale much longer compared to that for V-T relaxation or vibration-vibration (V-V) exchange. Both O atoms and the O2(v) populations decay on the same time scale, indicating that chemical reactions initiated by the O atom recombination result in the generation of vibrationally excited O2 molecules. These trends are reproduced by the kinetic model, which shows that the reaction of O atoms with ozone is the dominant pathway of O2(v) generation at the present conditions. The predicted relative O2(v) populations are close to the experimental results, but absolute number densities differ from the experimental data. This is likely due to uncertainties in the absolute calibration of LIF measurements and in the spectroscopic model used in the data reduction. The present work demonstrates the capability for the absolute, time-resolved measurements of vibrationally excited O2 in recombining gas flows, to quantify the energy partition in the recombination reactions.

Defect-induced doping and chemisorption of O2 in Se deficient GaSe monolayers

Abstract Owing to their atomically thin nature, structural defects in two dimensional materials often play a dominating role in their electronic and optical properties. Here, we grow epitaxial GaSe monolayers on graphene/SiC by molecular beam epitaxy and characterise the layers by in situ scanning tunnelling microscopy and angle-resolved photoemission spectroscopy extracted from k-resolved photoemission electron microscopy mapping. We identify an electric dipole at the GaSe/graphene interface, with electrons accumulating on the GaSe, that cannot be compensated by p-type doping through the creation of defects formed by annealing in ultrahigh vacuum. Additionally, we demonstrate that both as-grown and defective GaSe layers are remarkably resilient to oxidation in a pure O2 environment, and chemisorption of O2 molecules on the surface can effectively electronically neutralise the doping in the layer. This work demonstrates the robust interlayer interaction in the GaSe/graphene van der Waals heterostructure and the role of defects on the doping for nanoelectronics.

Tropospheric Fate of Methylhydroxycarbene and the Ability of a Single Water Molecule to Efficiently Promote Its Isomerization into Acetaldehyde.

The ultraviolet (UV) photodissociation of pyruvic acid through the absorption of solar actinic flux generates methylhydroxycarbene (MHC) in the atmosphere. It is recognized that isolated MHC can undergo unimolecular isomerization to form acetaldehyde and vinyl alcohol. However, the rates and mechanism for its possible bimolecular reactions with atmospheric constituents, which can occur in parallel with its unimolecular reaction, is not well understood. Here we investigate the energetics, kinetics, and mechanism of the reaction of MHC with three ubiquitous atmospheric molecules N2, O2, and H2O over the 160 K-380 K temperature range. Our study, at the CCSD(T)/6-311++G(3df,3pd)//M06-2X/6-311++G(3df,3pd) level, reveals that the MHC + N2 encounter is nonreactive, while the MHC + O2 reaction, which leads to CH3CO + HO2 formation, has a rate that is significantly different from previous estimates. For the MHC + H2O reaction, we find that a single H2O molecule is very effective in catalyzing the isomerization of MHC to form predominantly acetaldehyde. An analysis of the computed rate for this reaction indicates that it will be an important source of tropospheric acetaldehyde ̵ a major pollutant and precursor for atmospheric reactive intermediates. Our findings are in sharp contrast to current assessments in the literature that the MHC + H2O reaction is minor. Furthermore, in the MHC + H2O reaction system, we find that due to the presence of the OH group on MHC, the concerted insertion mechanism, which is typically dominant in reactions involving singlet carbenes, is suppressed relative to a hydrogen bond mediated double hydrogen atom transfer mechanism.

Reconfiguration of Intrinsic Depletion-Mode Characteristics of MoS2 Field-Effect Transistors to High-Performance Enhancement-Mode Operation Using an Argon Plasma-Induced p-Type Doping Technique.

The intrinsic n-type behavior and unavailability of the appropriate p-type doping method for MoS2 allows only n-type conduction with depletion mode (D-mode) characteristics and forbids the implementation of p-type field-effect transistors (FETs). The D-mode characteristic results in a high off-current (IOFF) at zero gate bias, which limits the usage of MoS2 FETs for industry-scale (n-channel metal-oxide semiconductor) NMOS/(complementary metal-oxide semiconductor) CMOS-logic-based applications due to significant power dissipation. Both these issues, i.e., i) missing technique for p-type doping and ii) D-mode operation are addressed here through the application of argon (Ar) plasma and subsequent O2 bath. Here, Ar plasma results in the physical removal of sulfur (S) atoms from the MoS2 surface, introducing sulfur vacancies, and the O2 bath results in the chemical bonding of O2 molecules with molybdenum (Mo) atoms at the introduced S vacancy sites. This leads to the formation of shallow acceptor states near the valance band (VB) of MoS2, resulting in p-type doping and enhancement mode (E-mode) characteristics of MoS2 FETs. Moreover, using Ar plasma results in the reduction of contact resistance (RC) of E-mode MoS2 FETs and hence facilitates achieving high-performance top-gated E-mode MoS2 FETs with IOFF (at zero gate bias) in tens of picoamperes and ION/IOFF in seven orders.

Study on the Desorption Mechanism of Sulfur Dioxide–Modified Activated Carbon Based on Density Functional Theory

ABSTRACTActivated carbon injection technology is the primary method used to control the mercury emissions from coal‐fired power plants. The preparation of sulfur‐loaded carbon‐based adsorbents through SO2 modification of the surface of activated carbon (the primary component) provides an effective solution to enhancing the mercury removal performance of adsorbents. However, there remains a lack of clarity on the adsorption performance and mechanism of mercury on the newly formed active sites of the carbon surface after SO2 sulfur loading modification. In this study, four potential structures of SO2 loaded onto the surface of activated carbon were constructed. Quantum chemical calculation methods were applied to calculate the adsorption process of Hg in these four models, with those important characteristics identified such as bonding properties, adsorption energy, electrostatic potential, and molecular orbitals. As indicated by those results, the adsorption bonds of the SO2‐modified activated carbon were mainly C‐O‐S and C‐S‐C. After the carbon cluster model adsorbed SO2 molecules, the sulfur in SO2 exhibited a strong positive potential that facilitated the loss of electrons from Hg due to the potential difference. Consequently, HgO was firmly adsorbed onto the surface of the carbon cluster. As revealed by the molecular orbital calculations performed after Hg adsorption on the two carbon cluster models, SO2‐modified and elemental sulfur‐modified activated carbons, in the SOAC‐Arm‐1 configuration, there was a clear exchange orbital around the adsorbed Hg atom in the LUMO, with a small HOMO–LUMO energy gap of only 0.01713 eV. At this point, the free electrons on the molecule were prone to orbital transitions, promoting the occurrence of adsorption reactions. The SOAC‐Arm‐3 conformation exhibited the shortest C‐Hg bond length and had an adsorption energy of up to −70.42 kJ/mol, indicating a stronger chemical bonding ability and a higher likelihood of adsorption reactions. These results demonstrate the feasibility of sulfur‐loaded modified activated carbon to mitigate Hg pollution through SO2.

Early Oxidation Kinetics of N-Dodecane under High-Temperature Conditions.

n-Dodecane(C12H26) is a typical surrogate fuel for aviation kerosene used in high-performance aero engines. The combustion kinetics of n-dodecane at temperatures above the critical point condition is the focus of attention in the aerospace field. In this paper, the first-principles molecular dynamics method is used to study the high-temperature oxidation of C12H26. Before C-C bond dissociation, C12H26 is oxidized to form oxidized C12 species containing multiple C═O, -OH, -O-, and -COOH groups, while releasing a large amount of energy. In addition, before the C-C bond dissociation of each C12H26, there are four main types of reactions: H-abstraction, H-addition, intramolecular H transfer, and O-addition. The H-abstraction and O-addition reactions have the highest frequencies. O2 molecules and H, OH, HO2, and O radicals also play important roles in promoting the oxidation of C12H26. The first investigation of the early oxidation reaction mechanism of C12H26 provides novel insights into the complex oxidation kinetics of long-chain alkanes.

Solvate Complex LiAlCl4·SO2: Synthesis and Physical-Chemical Properties.

This work describes the synthesis of the LiAlCl4·SO2 solvate complex and its properties. Its composition was determined using thermogravimetric analysis, Raman spectroscopy, and UV-vis spectroscopy. The specific ionic conductivity of LiAlCl4·SO2 is 4.7 × 10-2 S·cm-1. The dynamic viscosity is 19 cP at 25 °C, and the lithium transference number is 0.78. The melting point (+2.5 °C) and decomposition temperature (+60 °C) of LiAlCl4·SO2 were determined by simultaneous thermogravimetric analysis and differential scanning calorimetry. The structure of the solvate complex LiAlCl4·SO2 has been studied using a molecular dynamics method. A lithium cation is coordinated by one atom of Cl of the anion AlCl4- and one oxygen atom of SO2. The coordination number of lithium ions of LiAlCl4·SO2 is 4. The lithium cation is coordinated by three anions of AlCl4- and one molecule of SO2. Anion AlCl4- acts as a bridging ligand and binds different lithium cations.

Elucidating the synergistic effect of oxygen vacancies and Z-scheme heterojunction in NU-1000/BiOCl-Ov composites towards enhanced photocatalytic degradation of tetracycline hydrochloride.

Although Z-scheme heterojunction composites have been widely studied in photocatalysis, in-depth investigation of oxygen vacancies (Ov) in the Z-scheme photocatalysts is still rare. Herein, an oxygen vacancies modified NU-1000/BiOCl-Ov composite with Z-scheme heterojunction was rationally designed and fabricated. The combination of X-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR) experiment verified the presence of oxygen vacancies, meanwhile the Z-scheme charge transfer across the heterojunction interface was confirmed in detail by the in situ-XPS, Kelvin probe force microscope (KPFM) studies, ultraviolet photoelectron spectroscopy (UPS), EPR radical capture experiment, as well as density functional theory (DFT) calculation. Importantly, compared to pristine NU-1000 and BiOCl, the optimized NU-1000/BiOCl-Ov composite displayed enhanced photocatalytic performance in the degradation of tetracycline hydrochloride (TCH) under visible light (λ≥400nm). Theoretical calculations reveal that the oxygen vacancies could induce electron redistribution, facilitating the activation of O2 and TCH molecules, thereby promoting the photodegradation efficiency. Moreover, mechanism studies suggested that the synergistic effect of oxygen vacancies and Z-scheme heterojunction could facilitate the effective separation of photogenerated carriers. At last, the degradation routes of TCH were proposed and the toxicity of degradation intermediates was assessed. This work underlines the cooperative functions of oxygen vacancies and Z-scheme heterojunction towards improved photocatalytic performance, which offers new perspectives on the design of metal-organic frameworks (MOFs) composites for efficient photocatalysis.