Sites Of Cu Research Articles

Compatibility of Environmentally Friendly Insulating Gases CF3I and c-C4F8 with Cu Contacts

The gas-solid compatibility between environmentally friendly insulating gas and copper contacts is worth studying. In this paper, based on density functional theory, the adsorption calculation of CF3I, c-C4F8, five typical decomposition gases, and Cu (1 1 1) surface was carried out. The adsorption energies, transferred charges, charge densities, and densities of states were calculated for different adsorption configurations. Research indicates that there is no obvious charge transfer between the I atom and the Cu atom in the four adsorption sites of Cu (1 1 1) for the CF3I molecule. There is a charge transfer between the F atoms and the Cu top surface. The electrons lost by Cu are transferred to F atoms. In the configurations of different adsorption positions on CF3I and Cu (1 1 1) planes, the top and bridge adsorption energies are −0.835 eV and −0.993 eV, respectively, which are chemical adsorption. Therefore, CF3I is most likely to form adsorption at the top or bridge site of the Cu (1 1 1) surface. The adsorption energy of c-C4F8 gas on Cu (1 1 1) surface is similar to that of CF3I at fcc and hcp sites. The absolute values are all less than 0.8 eV, and the van der Waals force is the main force. The adsorption energies of C2F4 and C3F6 in the five decomposed gases are −1.315 eV and −1.204 eV, respectively. The charge transfer is −0.32 eV and −0.45 eV, respectively. Their values are larger than those of the other gases studied, which belong to chemical adsorption. The smaller values of the remaining three gases belong to physical adsorption. All molecular structures and Cu (1 1 1) planes were not significantly deformed. From a microscopic point of view, the gas can better exist on the copper surface.

Copper Binding and Oligomerization Studies of the Metal Resistance Determinant CrdA from Helicobacter pylori.

Within this research, the CrdA protein from Helicobacter pylori (HpCrdA), a putative copper-binding protein important for the survival of bacterium, was biophysically characterized in a solution, and its binding affinity toward copper was experimentally determined. Incubation of HpCrdA with Cu(II) ions favors the formation of the monomeric species in the solution. The modeled HpCrdA structure shows a conserved methionine-rich region, a potential binding site for Cu(I), as in the structures of similar copper-binding proteins, CopC and PcoC, from Pseudomonas syringae and from Escherichia coli, respectively. Within the conserved amino acid motif, HpCrdA contains two additional methionines and two glutamic acid residues (MMXEMPGMXXMXEM) in comparison to CopC and PcoC but lacks the canonical Cu(II) binding site (two His) since the sequence has no His residues. The methionine-rich site is in a flexible loop and can adopt different geometries for the two copper oxidation states. It could bind copper in both oxidation states (I and II), but with different binding affinities, micromolar was found for Cu(II), and less than nanomolar is proposed for Cu(I). Considering that CrdA is a periplasmic protein involved in chaperoning copper export and delivery in the H. pylori cell and that the affinity of the interaction corresponds to a middle or strong metal–protein interaction depending on the copper oxidation state, we conclude that the interaction also occurs in vivo and is physiologically relevant for H. pylori.

Desulfurization mechanism of an excellent Cu/ZnO sorbent for ultra-deep removal of thiophene in simulated coke oven gas

The reactive adsorption desulfurization mechanism of thiophene over Cu/ZnO sorbent in coke oven gas (COG) was established by a combination of theoretical and experimental study. The adsorption behavior of thiophene on Cu surface was studied by density functional theory (DFT) method. The C4 hydrocarbons releases and sulfur migration over Cu/ZnO sorbent during the thiophene removal process were investigated by comparing with that over CuO, ZnO and CuO+ZnO (prepared by mechanical grinding of CuO and ZnO) sorbents. The results show that the parallel adsorption of thiophene on hexagonal closest packing (HCP) site of Cu (111) crystal face is the optimal adsorption mode. Cu0 nanoparticles in Cu/ZnO sorbent have two important roles: (1) adsorb and dissociate H2, and (2) cleave the C–S bond of thiophene. The sulfur after the cleavage of C–S bond could transfer directly to ZnO and eventually be converted into ZnS without the intermediate product CuS. During thiophene removal, C4H6 and C4H10 are generated over Cu/ZnO sorbent in the presence of H2. ZnO in Cu/ZnO sorbent not only acts as an excellent sulfur accepter, but can greatly affect the adsorption properties by enhancing the spillover and storage of hydrogen atoms. Increasing the interaction between Cu0 nanoparticles and ZnO to enhance hydrogen spillover is an effective way to improve the thiophene reactive adsorption activity of Cu/ZnO.

Fluorescent carbon dots crosslinked cellulose Nanofibril/Chitosan interpenetrating hydrogel system for sensitive detection and efficient adsorption of Cu (II) and Cr (VI)

• One-pot synthesis of carbon dots cross-linked cellulose nanofibril hydrogel. • The introduction of chitosan by solvent displacement forms IPN hydrogel. • Carbon dots provide visual detection during Cu (II) and Cr (VI) adsorption. • Amphoteric biomass and carbon dots provide adsorption sites for Cu (II) and Cr (VI). • The mechanism of Cu (II) and Cr (VI) sorption and sensing was determined. To address the pollution of heavy metal ions in water resources, a novel self-assembled nitrogen-doped carbon dots (NCDs) crosslinked, cellulose nanofibril (CNF) and chitosan (CS) based interpenetrating polymer network (IPN) hydrogel (NCDs-CNF/CSgel) was prepared for simultaneous fluorescent detection and adsorption of Cu (II) cation and Cr (VI) anion. The NCDs cross-linked CNF hydrogel network was synthesized by an environmentally friendly low-temperature hydrothermal process and subsequently, solvent replacement was used to form the second layer of CS network. The morphology, chemical structure, fluorescent properties, and adsorption behaviors of NCDs-CNF/CSgel were analyzed. The results showed that NCDs-CNF/CSgel exhibited a wide linear range of fluorescence response for Cu (II) (50–1000 mg/L, detection limit of 40.3398 mg/L) and superior sensitivity and selectivity of fluorescence response for Cr (VI) (linear range of 1–50 mg/L, detection limit of 0.7093 mg/L). NCDs-CNF/CSgel showed high adsorption capacities of 148.30 mg/g and 294.46 mg/g for Cu (II) and Cr (VI), respectively, and fitted well to the pseudo-second-order model and the Langmuir model. The detection of Cu (II) and Cr (VI) and their adsorption mechanisms onto NCDs-CNF/CSgel were further determined. Hence, this work provides a green and sustainable approach for the synthesis of a functional material which can be applied for the detection and adsorption of heavy metal ions.

Surface characteristics, collector adsorption, and flotation response of covellite in oxidizing environment

The surface characteristics, collector adsorption, and flotation response of covellite in the presence of NaClO and FeCl3 were investigated using micro-flotation tests, X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (TOF-SIMS), and contact angle measurements. The micro-flotation test results indicated that covellite was effectively inhibited by the presence of NaClO and FeCl3. However, the dosages of these depressants were large, and the conditioning time was long. The results of the XPS and TOF-SIMS analyses indicated that NaClO could oxidize the covellite surface and reduce the active sites of Cu. Oxidation products, including CuO and Cu(OH)2, were generated on the covellite surface. After the addition of FeCl3, the precipitation of iron hydroxide on the covellite surface increased the content of hydrophilic species on the mineral surface. Thus, the adsorption of ammonium dibutyl dithiophosphate on covellite surface was prevented, which reduced the floatability of the covellite.

Kinetically relevant variation triggered by hydrogen pressure: A mechanistic case study of CO2 hydrogenation to methanol over Cu/ZnO

For the catalytic reaction, rate-determining step (RDS) would not permanently locate at one elementary step. It might be modified by different reaction parameters, e.g. temperature, pressure, local environment of the active species etc. However, there is few such example presented. Here, we show a systematic mechanistic study on the CO2 hydrogenation over Cu/ZnO catalyst and find that the change of H2 pressure triggers the RDS variation, in which with H2 partial pressure increasing, the active sites might change from surface sites of Cu to the perimeter sites, and directly lead to the variation of the RDS from CO2 adsorption ([H2]: 0.15 MPa–0.7 MPa) to HCOO# (the active site over ZnO was represented as “#” while the active site over Cu was represented as “*”) hydrogenation elementary step ([H2]: >0.7 MPa). That was further supported by a linear correlation between hydrogenation pressure and apparent activation energy of CO2 hydrogenation. Besides, the influence of water was further investigated based the Langmuir-Hinshelwood model established.

The Role of Zinc Ion in the Active Site of Copper-Zinc Superoxide Dismutase

The interaction of the superoxide radical ion O2– with the active site of Cu, Zn-superoxide dismutase is stud-ied by computer simulation using the ORCA software package version 5.0.2 at the level of density functional theory using the PBE functional and the basis sets of functions def2-SVP, def2-SVPD and def2-TZVPD. The main characteristics for two processes of electron transfer in the catalytic cycle of radical ion deactivation are obtained: reaction potential ΔG0, total reorganization energy λtot, activation energy ΔG≠, overlap matrix ele-ment HDA, and transfer rate constant k according to Marcus. The variable factor in the modeling is the pres-ence of the Zn2+ ion at the active site of the enzyme. Two variants of the electron transfer mechanism are con-sidered: one carried out through ligands and another occurring in the immediate vicinity of an oxygen-containing particle and a copper ion. It has been established that the presence of the Zn2+ ion contributes to a large extent only to the second electron transfer from the Cu+ ion to the protonated form of the radical ion, to the hydroperoxide radical HO2. Other things being equal, the zinc ion increases the electron transfer rate con-stant by five times through specific interactions.

An electrochemical sensor based on a MOF/ZnO composite for the highly sensitive detection of Cu(ii) in river water samples.

Cu(ii) ions are one of the most common forms of copper present in water and can cause bioaccumulation and toxicity in the human body; therefore, sensitive and selective detection methods are required. Herein, a copper ion sensor based on a UiO-66-NH2/ZnO composite material is proposed. The UiO-66-NH2/ZnO nanocomposite was prepared by an ultrasonic mixing method. The morphology and structure of the nanocomposite were studied by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The sensitivity to Cu(ii) is 6.46 μA μM−1 and the detection limit is 0.01435 μM. The composite material is rich in –OH and –NH2 groups, which are active sites for Cu(ii) adsorption. The UiO-66-NH2/ZnO-modified electrode has good repeatability and anti-interference ability. The sensor was successfully used for the determination of Cu(ii) in an actual water sample.

Activation of molecular oxygen over Mn-doped La2CuO4perovskite for direct epoxidation of propylene

The synergetic interaction between manganese and copper in LaMn0.5Cu0.5O3significantly promoted the epoxidation of propylene at lower temperature by converting the active sites from oxygen vacancies to Cu active sites of Cu–O–Mn.

Density Functional Theory Study on Anisotropic Arrangement of Interstitial Oxygen Atoms at (001) Interface of Oxide Precipitates in Si Crystal

The stability of the anisotropic oxygen (O) arrangement at the (001) interface of oxide precipitate (OP) in a Si crystal was analyzed by the density functional theory to understand the OP/Si interfacial structure and the gettering mechanism at the interface at an atomic level. In contrast to the case of the Si bulk, the O atoms align in one Si–Si zig-zag bond to some extent, then start to occupy other Si–Si bonds. After the O atoms are arranged in multiple series in the first interface layer to some extent, those in the second layer become more stable. This trend was confirmed for the second and third layers. The results support the existence of an experimentally observed transition layer with a composition of SiO x (x < 2) at the interface [Kissinger et al., ECS J. Solid State Sci. Technol., 9, 064002 (2020)]. Furthermore, several O alignments at the interface drastically reduce the formation energy of Si vacancies. The vacancies at the OP/Si interface were found to be effective gettering sites for Cu while the dangling bond was found to be an effective gettering site for Ni with a binding energy exceeding 1 eV.

A gravity and magnetic study of lithospheric architecture and structures of South China with implications for the distribution of plutons and mineral systems of the main metallogenic belts

• 3D density and susceptibility models of South China were inverted by gravity and magnetic data. • Lithospheric structure such as Moho of South China has been calculated and interpreted. • 5 source zones as well as pathways of mineral systems are clearly revealed. • Termination sites of mineral system are uncovered by 3D density and susceptibility models. South China is characterized by enormous volumes of igneous rocks generated by multiple stages of magmatism. Five large-scale metallogenic belts with many world-class deposits have been discovered, demonstrating great potential for prospecting new resources. To restrict the South China metallogenic cognition the main problems include the types and metal associations of the deposits, factors controlling the distribution of the different types of metallogenic belts, and targets for new deposits. To find possible and feasible solutions to solve these problems. It is necessary to consider the metallogenic factors from the concept of mineral systems. This study first converted the satellite gravity into Bouguer gravity under spherical coordinates. Then the reduction-to-the pole (RTP) magnetic anomalies were obtained using a moving window with different geomagnetic parameters. The vertical lithospheric interfaces and main faults were inverted and interpreted according to these gravity and magnetic data. Based on the results obtained, we have discussed the possible sources and pathways of the five metallogenic belts in South China. Meanwhile, it identified the 3D spatial distribution of intrusions qualitatively by inverted susceptibility and density model, and predicted the potential sites for Cu, Fe, Au, W, and Sn deposits.

Framework-derived Fe2O3/Mn3O4 nanocubes as electrochemical catalyst for simultaneous analysis of Cu(II) and Hg(II)

Exploiting advanced bimetallic oxide as sensing materials for electroanalysis offers new opportunity to improve the electrochemical performance, but still presents a tough challenge. Herein, we synthesized the uniform Fe2O3/Mn3O4 nanocubes from a framework structure in a facile approach, which were developed as the electrochemical catalyst for individual and simultaneous analysis of Cu(II) and Hg(II) in 0.1 M HAc-NaAc buffer solution (pH5.0). It showed the excellent electrochemical behavior for the simultaneous analysis Cu(II) and Hg(II) with high sensitivities of 69.29 and 190.55 μA μM cm−2. The corresponding limit of detection values (LODs) were calculated to be 3.94 nM and 1.39 nM, respectively. The excellent electrochemical behavior of Fe2O3/Mn3O4 could be attributed to the large specific surface area, which could provide a large number of adsorption sites for Cu(II) and Hg(II). Meanwhile, the bimetallic Fe and Mn atoms arranged in the porous nanocubes could offer a synergistic effect and improve the electrochemical activity. Moreover, it could be successfully applied for the simultaneous analysis of Cu(II) and Hg(II) in real water samples with the favorable recovery rate. The results confirmed that the Fe2O3/Mn3O4 nanocubes could serve as a reliable platform for the simultaneous analysis of Cu(II) and Hg(II).

Cu embedded Co oxides and its fenton-like activity for metronidazole degradation over a wide pH range: Active sites of Cu doped Co3O4 with {1 1 2} exposed facet

Cu-Co bimetallic catalysts show excellent performance for metronidazole (MNZ) degradation in a Fenton-like reaction, a near complete conversion was achieved. Cu doped Co3O4 with {112} exposed facet has proved to promote the oxidation of Co2+ to Co3+ in Cu-CoOx. The surface Cu+ on {112}-enclosed Co3O4 was identified as the main active species for the reaction and its concentration counts a lot in performance. The Cu+ with raised d-band center under Co-Cu synergistic interaction has boosted the dissociation of H2O2 into •OH with stronger electron donation to H2O2 and elongated O-O bond. Meanwhile, the accelerated redox process especially for Cu on the {112} facet of Co3O4 with a faster electron transfer rate also contributed to the excellent performance. The optimization of operational parameters of Co1Cu2 in MNZ removal with investigation of degradation pathway were also thoroughly performed.

Characteristics of adsorption kinetics and isotherms of Cu(II) by sediment under different hydrodynamic of the Ganjiang river, China

Abstract Discharges from industrial and agricultural processes into water bodies can result in the accumulation of heavy metals such as Cu(II) in the sediment via various physical and chemical interactions. While there are many studies of the adsorption of heavy metals by sediment, few have considered the effects of hydrodynamic conditions. Here, the adsorption of Cu(II) by sediments under different hydrodynamic conditions was studied using a particle entrainment simulator. The sediment samples were obtained from the Poyang Lake basin in China. Models describing pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion kinetics and the Langmuir, Freundlich, Temkin and Dubin Radushkevich adsorption isotherms were used to evaluate the adsorption of Cu(II) by the sediments under different hydrodynamic conditions. The results showed that adsorption equilibrium for Cu(II) by the sediment was attained within 4 hours and increased with increasing shear stress; the kinetics were consistent with pseudo-second-order and Elovich models, indicating that chemical processes were involved in adsorption; the adsorption isotherms could be described by the Langmuir and Freundlich models. Changes in the sediment shear stress had little effect on the maximum adsorption capacity and values ranged from 0.9425 to 1.0634 mg/g. The results indicated that the adsorption sites for Cu(II) in soil were heterogeneous.

Additive manufacturing of high strength copper alloy with heterogeneous grain structure through laser powder bed fusion

Laser powder bed fusion (L-PBF) additive manufacturing was utilized to fabricate high-strength copper (Cu) alloys through inoculation of pure Cu powder with cobalt (Co) submicron particles. It was found that when the addition level of Co is lower than its maximum solid solubility in Cu (4.75 wt.%), the microstructure of Cu-Co alloys is characterized by coarse columnar grains. Further addition of Co over 4.75 wt.% led to a heterogeneous grain structure, with large equiaxed grains or columnar grains near the centers of melt pools whereas ultrafine equiaxed grains sitting on the melt pool boundaries. Microstructure characterization showed that the in-situ formed dual phase nanoparticles with Co shell and cobalt oxide (CoO) core acted as heterogeneous nucleation sites of Cu, which allowed ultrafine, equiaxed grains to form. The heterogeneously structured as-built Cu-Co alloy achieved a tensile strength of 381.4 ± 2.9 MPa and an elongation of 31.6 ± 1.3%. Co nanoprecipitation driven by post L-PBF heat treatment further increased the tensile strength of the Cu-Co alloy up to 491.1 ± 12.6 MPa without notably sacrificing the ductility. The combination of high strength and high ductility distinguishes Cu-Co alloys from most conventionally and additively manufactured Cu alloys. This study shows a strategy to produce Cu alloys with high performance through remarkable grain refinement by heterogeneous nucleation.

Simultaneous Cu-EDTA oxidation decomplexation and Cr(VI) reduction in water by persulfate/formate system: Reaction process and mechanisms

The heavy metal-organic complexes and heavy metal ions pose great threats to human health, and their elimination from water environment is quite urgent. Simultaneous decomplexation of heavy metal complex Cu-EDTA and reduction of Cr(VI) was performed in a persulfate (PS)/formate (FA) system. Oxidizing species and reductive species were simultaneously produced in this PS/FA system, which realized 96.6% of Cu-EDTA decomplexation and 100% of Cr(VI) reduction within 90 min treatment under the solution pH 3.60. Higher solution temperature and acidic conditions favored Cu-EDTA decomplexation and Cr(VI) reduction. There existed an appropriate molar ratio of FA and PS to simultaneously realize high-efficient Cu-EDTA decomplexation and Cr(VI) reduction. SO4•-, •OH, and 1O2 drove the Cu-EDTA decomplexation, which destroyed the chelating sites of Cu and EDTA, and finally it was oxidized to small molecular alcohols, organic acids, and Cu2+. Reductive species CO2•− was produced by the reaction of SO4•− and FA, as well as •OH and FA, which dominated the reduction of Cr(VI) to Cr3+. Carbonates, hydroxides, and oxides including Cu(OH)2, CuCO3, Cu2CO3(OH)2, CuO, Cr(OH)3, and Cr2O3 were the main composites in precipitates after Cu2+ and Cr3+ were precipitated. Furthermore, Cu-EDTA decomplexation and Cr(VI) reduction processes induced by PS/FA were put forward.

Isolated Metal Sites in Cu–Zn–Y/Beta for Direct and Selective Butene-Rich C3+ Olefin Formation from Ethanol

Direct and selective production of C3+ olefins from bioethanol remains a critical challenge and important for the production of renewable transportation fuels such as aviation biofuels. Here, we report a Cu–Zn–Y/Beta catalyst for selective ethanol conversion to butene-rich C3+ olefins (88% selectivity at 100% ethanol conversion, 623 K), where the Cu, Zn, and Y sites are all highly dispersed. The ethanol-to-butene reaction network includes ethanol dehydrogenation, aldol condensation to crotonaldehyde, and hydrogenation to butyraldehyde, followed by further hydrogenation and dehydration reactions to form butenes. Cu sites play a critical role in promoting hydrogenation of the crotonaldehyde C═C bond to form butyraldehyde in the presence of hydrogen, making this a distinctive pathway from crotyl alcohol-based ethanol-to-butadiene reaction. Reaction rate measurements in the presence of ethanol and acetaldehyde (543 K, 12 kPa ethanol, 1.2 kPa acetaldehyde, 101.9 kPa H2) over monometallic Zn/Beta and Y/Beta catalysts indicate that Y sites have higher C–C coupling rates than over Zn sites (initial C–C coupling rate, 6.1 × 10–3 mol molY–1 s–1 vs 1.2 × 10–3 mol molZn–1 s–1). Further, Lewis-acidic Y-site densities over Cu–Zn–Y/Beta with varied Y loadings are linearly correlated with the initial C–C coupling rates, suggesting that Lewis-acidic Y sites are the predominant sites that catalyze C–C coupling in Cu–Zn–Y/Beta catalysts. Control experiments show that the dealuminated Beta support is important to form higher density of Lewis-acidic Y sites in comparison with other supports such as silica, or deboronated MWW despite similar atomic dispersion of Y sites and Y–O coordination numbers over these supports, leading to more than 9 times higher C–C coupling rate per mole Y over dealuminated Beta relative to other supports. This study highlights the significance of unique combination of metal sites in contributing to the selective valorization of ethanol to C3+ olefins, motivating for exploring multifunctional zeolite catalysts, where the presence of multiple sites with varying reactivities and functions allows for controlling the predominant molecular fluxes toward the desired products in complex reactions.

Compensating the impurities on the Cu surface by MOFs for enhanced hydrocarbon production in the electrochemical reduction of carbon dioxide

Copper (Cu) provides a cost-effective means of producing value-added fuels through the electrochemical reduction of carbon dioxide (CO2RR). However, we observed the production of hydrocarbons via CO2RR on commercial Cu films is less efficient because of the surface impurities, i.e., Fe. Carbon monoxide (CO), a reaction intermediate of CO2RR to hydrocarbons, binds strongly to the Fe sites and interrupts the production of hydrocarbons, resulting in an active hydrogen evolution reaction (HER). Herein, we report a method of blocking the effect of Fe impurities on the Cu surface through the preferential growth of nano-sized metal-organic frameworks (MOFs) on Fe site. When zirconium (Zr)-based MOFs (UiO-66) forms a compensating layer on Cu film via the terephthalic acid (TPA)-Fe coordination bond, the UiO-66 coated Cu film (UiO-66@Cu) presents significantly improved hydrocarbon Faradaic efficiency (FE) of 37.59% compared to 14.68% FE on commercial Cu film (99.9% purity) by suppressing HER. According to X-ray photoelectron spectroscopy (XPS) analysis, the UiO-66 ligand binds to entire metallic Fe site on the Cu surface, while metallic Cu is retained. Thus, UiO-66@Cu provides active sites of Cu for CO2RR and leads to highly efficient and selective production of hydrocarbons.

The active sites of Cu\u2013ZnO catalysts for water gas shift and CO hydrogenation reactions

Cu–ZnO–Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al2O3 catalysts.

Loading mechanism and double-site reaction mechanism of Cu on activated carbon for enhanced oxidation of CO from flue gas

To strengthen the CO oxidation activity of activated carbon for flue gas purification, AC was modified through acid treatment and metal loading. AC-supported Cu shows excellent catalytic oxidation activity compared with other metal-modified AC samples. To investigate the action modes of Cu loaded on activated carbon and the mechanism of CO oxidation, various samples were characterized by XRD, N2O titration, SEM, N2 physisorption, TPD, H2-TPR, XPS, in situ DRIFTS and EPR. The results show that oxygen-containing functional groups increase the loading amount and dispersion of Cu. Moreover, Cu species strongly bound to oxygen-containing functional groups are the main contributors to CO oxidation. The roles of oxygen-containing functional groups are further revealed: carboxyl groups are the anchoring sites of Cu, and hydroxyl groups supply oxygen to restore the active structure. Similarly, Ce indirectly promote the oxidation activity of CO by re-oxidizing Cu+ to Cu2+, which accelerates the catalytic cycle. The reaction mechanism on AC-supported Cu samples has been proposed to follow the double-site Langmuir–Hinshelwood mechanism, with Cu2+ as oxidation sites, Cu+ as adsorption sites and the formation of oxygen vacancies on Cu+ during the reaction. AC-Cu performs the highest oxidation activity at a proportion of Cu+ of 0.5–0.6. SO2 causes irreversible chemical poisoning to CO oxidation, while NO leads to reversible poisoning due to competitive adsorption with CO. The novel AC-supported Cu catalyst with Ce improves the resistance against SO2 and NO, and the reason is explained. These findings provide theoretical guidance for the preparation and application of metal-modified activated carbon.