摘要：The low efficiency of photogenerated carrier separation,and the poor adsorption and activation ability of CO_(2)on the surface of photocatalyst were the key problems to limit the efficiency of photocatalytic CO_(2)***,maximally accelerating the immigration of photogenerated charges d increasing the number of active sites are critical points to boost the overall performance of photocatalytic CO_(2)***,it is still huge *** this work,the Ni-doped ultrathin Bi_(4)O_(5)Br_(2)nanosheets,which was successfully prepared by hydrothermal and ultrasonic chemical stripping methods,exhibited efficient photocatalytic conversion of CO_(2)to *** results of experiments and theoretical calculations indicated that the doped Ni^(2+)significantly increased the crystal dipole moment of Bi_(4)O_(5)Br_(2)in y direction(from 0 to 0.096 e?),which enhanced the polarized electric field strength inside Bi_(4)O_(5)Br_(2),and further promoted the immigration of photogenerated ***,the ultrathin structure and doped Ni^(2+)synergistically increased the number of active sites,thereby promoting the adsorption and activation of CO_(2)molecules,as evidenced by experimental and theoretical results *** result,The CO yield was as high as 26.57μmol g–1 h–1 for the prepared Ni-doped ultrathin Bi_(4)O_(5)Br_(2)nanosheets under full spectrum light irradiation,which was 9.48 times that of Bi_(4)O_(5)Br_(2).Therefore,it is of great scientific significance in this study to explore strategies to promote the separation of photogenerated carriers and enhance the adsorption and activation ability of CO_(2)on the surface.

摘要：Although some experiments have shown that point defects in a cathode host material may enhance its performance for lithium-sulfur battery(LSB),the enhancement mechanism needs to be well investigated for the design of desired sulfur ***,the first principle density functional theory(DFT)is adopted to investigate a high-performance sulfur host material based on oxygen-defective TiO2(D-TiO2).The adsorption energy comparisons and Gibbs free energy analyses verify that D-TiO2 has relatively better performances than defect-free TiO2 in terms of anchoring effect and catalytic conversion of ***,D-TiO2 is capable of absorbing the most soluble and diffusive long-chain *** newly designed D-TiO2 composited with three-dimensional graphene aerogel(D-TiO2@Gr)has been shown to be an excellent sulfur host,maintaining a specific discharge capacity of 1,049.3 mAhg^−1 after 100 cycles at 1C with a sulfur loading of 3.2 mgcm^−*** with the sulfur mass loading increasing to 13.7 mgcm^−2,an impressive stable cycling is obtained with an initial areal capacity of 14.6 mAhcm^−2,confirming the effective enhancement of electrochemical performance by the oxygen *** DFT calculations shed lights on the enhancement mechanism of the oxygen defects and provide some guidance for designing advanced sulfur host materials.

摘要：Normal photocatalysts cannot effectively remove low-concentration NO because of the high recombination rate of the photogenerated *** overcome this problem,S-scheme composites have been developed to fabricate ***,a novel S-scheme Sb2WO6/g-C3N4 nanocomposite was fabricated by an ultrasound-assisted method,which exhibited excellent performance for photocatalytic ppb-level NO *** with the pure constituents of the nanocomposite,the as-prepared 15%-Sb2WO6/g-C3N4 photocatalyst could remove more than 68%continuous-flowing NO(initial concentration:400 ppb)under visible-light irradiation in 30 *** findings of the trapping experiments confirmed that•O2^–and h+were the important active species in the NO oxidation ***,the transient photocurrent response and PL spectroscopy analyses proved that the unique S-scheme structure of the samples could enhance the charge separation *** situ DRIFTS revealed that the photocatalytic reaction pathway of NO removal over the Sb2WO6/g-C3N4 nanocomposite occurred via an oxygen-induced *** present work proposes a new concept for fabricating efficient photocatalysts for photocatalytic ppb-level NO oxidation and provides deeper insights into the mechanism of photocatalytic NO oxidation.

摘要：Constructing Z-scheme heterojunction to improve the separation efficiency of photogenerated carriers of photocatalysts has gained extensive *** this work,we fabricated a novel Z-scheme MoO3/Bi2O4 heterojunction photocatalyst by a hydrothermal *** analysis results indicated that strong interaction between MoO3 and Bi2O4 is generated,which contributes to charge transfer and separation of the photogenerated *** was confirmed by photoluminescence(PL)and electrochemical impedance spectroscopy(EIS)*** photocatalytic performance of the as-synthesized photocatalysts was evaluated by degrading rhodamine B(RhB)in aqueous solution under visible light irradiation,showing that 15%MoO3/Bi2O4(15-MB)composite exhibited the highest photocatalytic activity,which is 2 times higher than that of ***,the heterojunction photocatalyst can keep good photocatalytic activity and stability after five *** experiments demonstrated that the dominant active radicals in photocatalytic reactions are superoxide radical( O2-)and holes(h+),indicating that the 15-MB composite is a Z-scheme ***,the mechanism of the Z-scheme MoO3/Bi2O4 composite for photo-degrading RhB in aqueous solution is *** work provides a promising strategy for designing Bi-based Z-scheme heterojunction photocatalysts for highly efficient removal of environmental pollutants.

摘要：The development of efficient photocatalytic H2-evolution materials requires both rapid electron transfer and an effective interfacial catalysis reaction for H2 production. In addition to the well-known noble metals, low-cost and earth-abundant non-noble metals can also act as electron- transfer mediators to modify photocatalysts. However, as almost all non-noble metals lack the interfacial catalytic active sites required for the H2-evolution reaction, the enhancement of the photocatalytic performance is limited. Therefore, the development of new interfacial active sites on metal-modified photocatalysts is of considerable importance. In this study, to enhance the photocatalytic evolution of H2 by Ni-modified TiO2, the formation of NiSx as interfacial active sites was promoted on the surface of Ni nanoparticles. Specifically, the co-modified TiO2/Ni-NiSx photocatalysts were prepared via a two-step process involving the photoinduced deposition of Ni on the TiO2 surface and the subsequent formation of NiSx on the Ni surface by a hydrothermal reaction method. It was found that the TiO2/Ni-NiSx photocatalysts exhibited enhanced photocatalytic H2-evolution activity. In particular, TiO2/Ni-NiSx(30%) showed the highest photocatalytic rate (223.74 μmol h.1), which was greater than those of TiO2, TiO2/Ni, and TiO2/NiSx by factors of 22.2, 8.0, and 2.2, respectively. The improved H2-evolution performance of TiO2/Ni-NiSx could be attributed to the excellent synergistic effect of Ni and NiSx, where Ni nanoparticles function as effective mediators to transfer electrons from the TiO2 surface and NiSx serves as interfacial active sites to capture H+ ions from solution and promote the interfacial H2-evolution reaction. The synergistic effect of the non-noble metal cocatalyst and the interfacial active sites may provide new insights for the design of highly efficient photocatalytic materials.

摘要：Effective charge separation and rapid interfacial H_(2) production are imperative for the construction of efficient *** to Pt,the metallic Ag co‐catalyst with its strong electron‐trapping ability and excellent electronic conductivity typically exhibits an extremely limited photocatalytic H_(2-)evolution rate owing to its sluggish interfacial H_(2)‐generation *** this study,amorphous AgSe_(x) was incorporated in situ onto metallic Ag as a novel and excellent H_(2)‐evolution active site to boost the interfacial H_(2)‐generation rate of Ag nanoparticles in a TiO_(2)/Ag ***‐shell Ag@AgSe_(x)nanoparticle‐modified TiO_(2)photocatalysts were prepared via a two‐step pathway involving the photodeposition of metallic Ag and the selective surface selenization of metallic Ag to yield amorphous AgSe_(x)*** as‐prepared TiO_(2)/Ag@AgSe_(x)(20μL)photocatalyst exhibited an excellent H_(2‐)production performance of 853.0μmol h^(-1)g^(-1),prominently outperforming the TiO_(2)and TiO_(2)/Ag samples by factors of 11.6 and 2.4,*** investigations and DFT calculations revealed that the enhanced H_(2‐)generation activity of the TiO_(2)/Ag@AgSe_(x)photocatalyst could be accounted by synergistic interactions of the Ag@AgSe_(x)co‐***,the metallic Ag core could quickly capture and transport the photoinduced electrons from TiO_(2)to the amorphous AgSe_(x)shell,whereas the amorphous AgSe_(x)shell provided large active sites for boosting the interfacial H_(2)*** study offers a facile route for the construction of novel core‐shell co‐catalysts for sustainable H_(2)evolution.

摘要：Conjugated covalent organic frameworks(COFs)hold great promise in photocatalytic hydrogen evolution owing to their high crystallinity,large surface area,and distinct ***,COFs exhibit poor charge ***,investigating highly effective COF-based photocatalysts is *** the first time,conjugated COF/perylene diimide urea polymer(PUP)all-organic heterostructure with S-scheme interfacial charge-transfer channels was successfully developed and manufactured via in situ coupling of the two-dimensional triazine-based imine-linked COF(denoted as TATF-COF)with *** optimal photocatalytic hydrogen-evolution rate of 94.5 mmol h^(-1) g^(-1) for TATF-COF/PUP is 3.5 times that of pure TATF-COF and is comparable to or even higher than that of the previously reported COF-based photocatalysts,resulting in an apparent quantum efficiency of up to 19.7%at 420 *** improved directional S-scheme charge transfer driven by the tuned built-in electric field and enhanced oxidation and reduction reaction rates of the photogenerated carriers contribute synergistically to the boosted photocatalytic H_(2) *** and theoretical studies reveal plausible H_(2) evolution and spatial S-scheme charge-separation mechanisms under visible-light *** study provides advanced methods for constructing all-organic S-scheme high-efficiency photocatalysts by the modulation of band structures.

摘要：The upcoming fifth-generation(5G)mobile communication with low-latency,high-speed and high-data-capacity[1]can realize innovative services such as remote intelligent medical care,smart cities,Internet of Vehicles,and ultra-high-definition video[2,3].Compared with current mobile communications,5G services require a 5G network with 1000 times the capacity and 10–100 times the data transmission rate[4].5G communication can also realize large-scale connections between people and machines[5].It will be the era of Internet of *** realization of the interconnection of all things is essentially the communication between the transmitting antenna and the receiving antenna.

摘要：The development of highly active DFT catalysts for an electrocatalytic N_(2)reduction reaction(NRR)under mild conditions is a difficult *** this study,a series of atom‐pair catalysts(APCs)for an NRR were fabricated using transition‐metal(TM)atoms(TM=Sc−Zn)doped into g‐CN *** electrochemical mechanism of APCs for an NRR has been reported by well‐defined density functional theory *** calculated limiting potentials were−0.47 and−0.78 V for the Fe_(2)@CN and Co_(2)@CN catalysts,*** to its high suppression of hydrogen evolution reactions,Co_(2)@CN is a superior electrocatalytic material for a N_(2)*** Fe_(2)@CN may be a strongly attractive material for an NRR with a relatively low overpotential after an improvement in the *** two‐way charge transfer affirmed the donation‐acceptance procedure between N_(2)and Fe_(2)@CN or Co_(2)@CN,which play a crucial role in the activation of inert N≡N *** study provides an in‐depth investigation into atom‐pair catalysts and will open up new avenues for highly efficient g‐CN‐based nanostructures for an NRR.

摘要：Inspired by MXene nanosheets and their regulation of surface functional groups,a series of Ti_(2)C‐based single‐atom electrocatalysts(TM@Ti_(2)CT_(x),TM=V,Cr,Mn,Fe,Co,and Ni)with two dif‐ferent functional groups(T=–O and–S)was *** CO_(2)RR catalytic performance was stud‐ied using well‐defined ab initio *** results show that the CO_(2) molecule can be more readily activated on TM@Ti_(2)CO_(2) than the TM@Ti_(2)CS_(2) *** charge analysis reveals that the Ti_(2)CO_(2) substrate is involved in the adsorption reaction,and enough electrons are injected into the 2π*u orbital of CO_(2),leading to a V‐shaped CO_(2) molecular configuration and partial negative charge *** V‐shaped CO_(2) further reduces the difficulty of the first hydrogenation reac‐tion *** calculatedΔG of the first hydrogenation reaction on TM@Ti_(2)CO_(2) was significantly lower than that of the TM@Ti_(2)CS_(2) ***,the subsequent CO_(2) reduction pathways show that the UL of the potential determining step on TM@Ti_(2)CS_(2) is smaller than that of TM@Ti_(2)CO_(2).Combining the advantages of both TM@Ti_(2)CS_(2) and TM@Ti_(2)CO_(2),we designed a mixed functional group surface with–O and–S to anchor TM *** results show that Cr atoms an‐chored on the surface of mixed functional groups exhibit high catalytic activity for the selective production of *** study opens an exciting new avenue for the rational design of highly selec‐tive MXene‐based single‐atom CO_(2)RR electrocatalysts.