摘要：Our recent theoretical studies have screened out CuCs-doped Ag-based promising catalysts for ethylene epoxidation[ACS Catal.11,3371(2021)].The theoretical results were based on surface modeling,while in the actual reaction process Ag catalysts are particle *** this work,we combine density functional theory(DFT),Wulff construction theory,and micro kinetic analysis to study the catalytic performance of Ag catalysts at the particle *** demonstrates that the CuCs-doped Ag catalysts are superior to pure Ag catalysts in terms of selectivity and activity,which is further proved by experimental *** characterization analysis finds that both Cu and Cs dopant promote particle growth as well as particle dispersion,resulting in a grain boundary-rich Ag ***,CuCs also facilitate electrophilic atomic oxygen formation on catalyst surface,which is benefitial for ethylene oxide formation and *** work provides a case study for catalyst design by combining theory and experiment.

摘要：In this work we used CdS NWs(nanowires)with vanadium carbide(VC)attached via facile electrostatic self‐assembly and calcination *** results showed that compared to pristine CdS NWs,the photocatalytic activity of CdS NWs loaded with the particular amount of VC was dramatically *** them,the VC/CS‐15 indicated the highest enhancement for simultaneous production of H2 with selective oxidation of benzyl alcohol(BO)into benzaldehyde(BD).The highest hydrogen evolution rate of 20.5 mmol g^(-1)h^(-1)was obtained with more than 99%selectivity for BD production under visible light(λ˃420 nm)irradiation for 2 h,which was almost 661 times higher than the pristine CdS *** enhancement of photocatalytic activity is due to the VC,which provides a favorable attraction for BO by lowering the zeta potential,along with the active site for hydrogen production,and retard the recombination of electron‐hole pairs by increasing the conductivity of the ***,the apparent quantum efficiency(AQE)of VC/CS‐15 for BD and H_(2)production at monochromatic 420 nm is about 7.5%.At the end of the hydrogen evolution test,the selective oxidation with more than 99%selectivity was *** hopes this work will prove its future significance and move scientific community toward a more economical way for achieving the commercialization of H_(2) by photocatalysis.

摘要：Constructing a suitable heterojunction photocatalytic system from two photocatalytic materials is an efficient approach for designing extremely efficient photocatalysts for a broader range of environmental,medical,and energy ***,the construction of a step-scheme heterostructure system(hereafter called the S-scheme)has received widespread attention in the photocatalytic field due to its ability to achieve efficient photogenerated carrier separation and obtain strong photo-redox ***,a novel S-scheme heterojunction system consisting of 2D O-doped g-C_(3)N_(4)(OCN)nanosheets and 3D N-doped Nb_(2)O_(5)/C(N-NBO/C)nanoflowers is constructed via ultrasonication and vigorous agitation technique followed by heat treatment for the photocatalytic degradation of Rhodamine B(RhB).Detailed characterization and decomposition behaviour of RhB showed that the fabricated material shows excellent photocatalytic efficiency and stability towards RhB photodegradation under visible-light *** enhanced performance could be attributed to the following factors:fast charge transfer,highly-efficient charge separation,extended lifetime of photoinduced charge carriers,and the high redox capability of the photoinduced charges in the S-scheme *** trapping experiment conditions and electron paramagnetic resonance provide clear evidence of the S-scheme photogenerated charge transfer path,meanwhile,the RhB mineralization degradation pathway was also investigated using *** study presents an approach to constructing Nb_(2)O_(5)-based S-scheme heterojunctions for photocatalytic applications.

摘要：Heterostructured photocatalysts provide an effective way to achieve enhanced photocatalytic performances through efficient charge *** both wide-and narrow-band-gap photocatalysts have been widely investigated,the charge separation and transfer mechanism at the contacting interface of the two has not been fully ***,a novel SrTiO3/BiOI(STB)heterostructured photocatalyst was successfully fabricated by using a facile *** heterostructure in the photocatalyst extends the photoabsorption to the visible light range,and thus,high photocatalytic NO removal performance can be achieved under visible light irradiation.A combination of experimental and theoretical evidences indicated that the photogenerated electrons from the BiOI semiconductor can directly transfer to the SrTiO3 surface through a preformed electron delivery *** electron transfer was expected between the SrTiO3 and BiOI surfaces under light irradiation,and leads to efficient ROS generation and thus a high NO conversion ***,in situ diffused reflectance infrared Fourier transform spectroscopy revealed that STB can better inhibit the accumulation of the toxic intermediate NO2 and catalyze the NO oxidation more *** work presents a new insight into the mechanism of the interfacial charge separation in heterostructures and provides a simple strategy to promote the photocatalytic technology for efficient and safe air purification.

摘要：Tailoring the microstructure of pristine TiO2 is essential to narrow its band gap and prolong the charge lifetime. In particular, strategies involving fluorine have been used successfully to tune the surface chemistry, electronic structure, and morphology of TiO2 photocatalysts to improve their photocatalytic activity based on the strong complexation between fluoride ions and TiO2 and the high electronegativity of fluorine. In this review, we summarize the strategies involving fluorine to establish highly efficient TiO2 photocatalytic systems or fabricate highly efficient TiO2 photocatalysts. The main fluorine effects(i.e. the effects of fluorine on photocatalysis) include the following four aspects:(1) Surface effects of fluoride on TiO2 photocatalysis,(2) effects of fluorine doping on TiO2 photocatalysis,(3) fluoride-mediated tailoring of the morphology of TiO2 photocatalysts, and(4) the effects of fluorine on non-TiO2 photocatalysis. Additionally, the unique applications of these fluorine effects in photocatalysis, including selective degradation of pollutants, selective oxidation of chemicals, water-splitting to produce H2, reduction of CO2 to produce solar fuels, and improvement of the thermostability of TiO2 photocatalysts, are reviewed.

摘要：To optimize the electronic structure of photocatalyst,a facile one‐step approach is developed for the simultaneous realization of Zn‐doping and surface oxygen vacancies(SOVs)formation on SnO_(2).The Zn‐doped SnO_(2)with abundant SOVs exhibits efficient and stable performance for photocatalytic degradation of toluene under both low and high relative *** and theoretical calculations results show that the synergistic effects of Zn‐doping and SOVs on SnO_(2)can considerably boost the charge transfer and separation *** the in situ DRIFTS and theoretical calculations methods,it is revealed that the benzene ring of toluene is opened at benzoic acid on the SnO_(2)surface and selectively at benzaldehyde on the Zn‐doped SnO_(2)*** implies that Zn‐doped SnO_(2)photocatalysts shorten the pathway of toluene degradation,and toxic intermediates can be significantly *** work could provide a promising and sustainable route for safe and efficient removal of aromatic VOCs with photocatalytic technology.

摘要：Anchoring molecular cocatalysts on semiconductors has been recognized as a general strategy to boost the charge separation efficiency required for efficient ***,the effect of molecular cocatalysts on energy funneling(i.e.,directional energy transfer)inside semiconductor photocatalysts has not been demonstrated *** we prepared CdS nanorods with both thin and thick rods and anchored the conjugated molecules 2‐mercaptobenzimidazole(MBI)and cobalt molecular catalysts(MCoA)sequentially onto the surface of *** absorption measurements revealed that MBI molecules facilitated energy funneling from thin to thick rods by the electronic coupling between thin and thick nanorods,which is essentially a light‐harvesting antenna approach to enhance the charge generation efficiency in the reaction center(here the thick rods).Moreover,MBI and MCoA molecules selectively extracted photogenerated holes and electrons of CdS nanorods rapidly,leading to efficient charge ***,CdS/MBI/MCoA displayed 15 times enhanced photocatalytic H_(2) evolution(1.65 mL)than pure CdS(0.11 mL)over 3 h of *** amount of H_(2) evolution reached 60 mL over 48 h of illumination with a high turnover number of 26294 and an apparent quantum efficiency of 71%at 420 *** study demonstrates a novel design principle for next‐generation photocatalysts.