摘要：Supports are commonly implemented in the industrial application of heterogeneous catalysts to improve the stability and recyclability of *** supported catalysts often show the enhanced activity and selectivity in various catalytic ***,the specific contributions of electronic and steric effects to a catalytic system often remain elusive due to the lack of well-defined model *** this work,two types of uniform Pd nanocrystals covered by{111}facets in tetrahedral and octahedral shapes,respectively,are synthesized with identical chemical environment and loaded on Ti O_2supports to form hybrid structures(Pd{111}-Ti O_2)towards the application of formic acid *** observation suggests that the polarization effect at the interface of Pd-Ti O_2enhances its activity in formic acid ***,the Pd tetrahedrons-Ti O_2hybrid structure whose Pd{111}-Ti O_2interface possesses a larger angle shows higher catalytic activity,owing to the reduced steric effect as compared to Pd octahedrons-Ti O_*** study reveals the nature of interface effects in formic acid decomposition,and provides a guidance for the related catalyst design.

摘要：Electron-hole separation is a critical step to achieving efficient photocatalysis, towards which use of co-catalysts has become a widely used strategy. Despite the tremendous efforts and demonstrated functions of noble metal co-catalysts, seeking noble metal-free co-catalysts will always be the goal when designing cost- effective, high-performance hybrid photocatalysts. In this work, we demonstrate that MoS~ nanosheets with 1T phase （i.e., octahedral phase） can function as a co-catalyst with multiple merits： （1） Noble-metal-free; （2） high mobility for charge transport; （3） high density of active sites for H2 evolution on basal planes; （4） good performance stability; （5） high light transparency. As demonstrated in both photocatalytic hydrogen production and Rhodamine B degradation, the developed hybrid structure with TiO2 exhibits excellent performance, in sharp contrast to bare TiO2 and the hybrid counterpart with 2H-MoS2.

摘要：A well-designed redox-active organic linker,pyrazine-2,3,5,6-tetracarboxylate(H_4pztc)with brimming active sites for lithium ions storage was utilized to construct coordination polymers(CPs)via a facile hydrothermal *** two isostructural two-dimensional(2D)CPs,namely[M_2(pztc)(H_2O)_6]_n(M=Co for 1 and Ni for 2),delivered excellent reversible capacities and stable cycling performance as anodes in lithium ion *** demonstrated in electrochemical studies,1 and 2 can achieve highly reversible capacities of 815 and 536 mA h g^(-1)at 200 mA g^(-1)for 150 cycles,respectively,best performed for the reported2D-CP-based anode *** electrochemical mechanism studies showed that the remarkable performances can be ascribed to the synergistic Li-storage redox reactions of metal centers and organic *** work highlights the opportunities of using a well-designed organic ligand to construct low-dimensional CPs as new type of electrode materials for advanced lithium ion batteries.

摘要：A Z-scheme is a promising approach to achieve broad-spectrum photocatalysis. Integration of TiO2 with another semiconductor with a band gap of -1.0 eV would be ideal to harvest both ultraviolet and visible-near infrared light for photocatalysis; however, most narrow-bandgap semiconductors have straddling band structure alignments with TiO2, constituting an obstacle to forming the Z-scheme for photocatalytic hydrogen production. In this communication, we demonstrate Ag2S as a model system where the energy band upshift of the narrow-bandgap semiconductor that shares an interface with a metal can overcome this limitation. To fabricate the design, we developed a unique approach to synthesize Ag2S-Ag-TiO2 hybrid structures. The obtained ternary hybrid structures exhibited dramatically enhanced performance in photocatalytic hydrogen pro- duction under full-spectrum light illumination. The activities were significantly higher than the sum of those of Ag2S-Ag-TiO2 structures under λ〈 400 nm and λ 〉 400 nm irradiation as well as those of their counterparts under any light illumination conditions.

摘要：The sharp rise of CO2 in the atmosphere has become a potential threat to global climate, which results from the massive utilization of fossil fuel since the industry revolution. CO2 electroreduction provides us a new possibility of utilizing CO2 as a carbon feedstock for fuel and commercial chemicals generation. In this article, a new method is developed for synthesizing CuInS2 hollow nanostructures through the Kirkendall effect. The CuInS2 hollow nanostructures exhibit excellent catalytic activity for electrochemical reduction of CO2 with particular high selectivity, achieving high faradaic efficiency for HCOOH of 72.8% at -0.7 V. To elucidate the mechanisms, operando electrochemical Raman spectroscopy is employed to examine the CO2 reduction process. This work provides new insights into the design of hollow nanostructures toward electrocatalytic CO2 conversion and offers us an effective and reliable way for real-time investigation of electrochemical CO2 reduction reaction processes.

摘要：Substantial effort has been made to search for electrode materials of Na-ion batteries with high energy/power density. The application of S-saturated zigzag MoS2 nanoribbons （MoSzNRs） for Na-ion batteries has been explored through density function theory （DFT）. The theoretical maximum specific capacity reaches 386.4 mAh,g t via dou- ble-side and special edge adsorption mode. The electronic structure reveals that there exists charge transfer between Na and MoS2NRs. The diffusion barrier on MoS2NRs （0.17 eV） is much lower than that of bulk MoS2 （1.15 eV）, indicating an excellent diffusion kinetics, in addition, the S-edge in MoS2NRs plays a key role. Firstly, the Mo edge was half saturated by S, which helps to stabilize the MoS2NRs as well as offer more intercalation sites for Na. On the other hand, Na migrates much faster on the S edge route in MoS2NRs. Our computational results show that S-saturated MoSzNRs exhibit a great potential as electrode materials for Na-ion batteries with high performance.

摘要：Three-dimensional （3D） graphene has recently attracted enormous attention for electrochemical energy storage applications. However, current methods suffer from an inability to simultaneously control and engineer the porosity and morphology of the graphene frameworks. Here, we report the designed synthesis of ordered mesoporous graphene spheres （OMGSs） by transformation of self-assembled Fe3O4 nanocrystal superlattices. The resultant OMGSs have an ultrathin framework comprising few-layered graphene, with highly ordered and interconnected mesoporosity and a high surface area. These advantageous structural and textural features, in combination with the excellent electrical conductivity of the graphitic frameworks, render the OMGSs an ideal and general platform for creating hybrid materials that are well suited for use as composite electrodes in lithium-ion batteries （LIBs）. As a proof-of-concept demonstration, SnO2 and GeO2 nanoparticles are incorporated into the OMGSs to afford SnO2@OMGSs and GeO2@OMGSs, respectively, both of which exhibit outstanding lithium storage properties when used as LIB anodes.

摘要：In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first analysis scheme that performs analysis for intramolecular interaction in solution. By fragmentation scheme, a molecule is divided into intramolecular interacting fragments and environmental fragments via single bond homolysis breaking. The solvent effect is taken into account by implicit solvation model. Intramolecular interaction free energy is estimated as the separated treatment of inter-fragment interactions in dielectric environment. The analysis results highlight the importance of solvent effects to intramolecular non-covalent interaction.

摘要：As promising candidates for energy-storage devices, supercapacitors （SCs） have attracted considerable attention because of their unique features, such as their high power density, outstanding rate capability, excellent cycling performance, and safety. The recent boom in portable electronic devices requires high- performance SCs that are flexible, simplified, thin, and integrated. Tremendous efforts have been directed towards the design and integration of planar micro- SCs （MSCs） based on different active electrode materials by various methods. This review highlights the recent developments in the device design of flexible planar MSCs and their integration with other electronic devices. The current challenges and future prospects for the development of flexible MSCs are also discussed.

摘要：Transition metal nitrides （TMNs） are of particular interest by virtue of their synergic advantages of superior electrical conductivity, excellent environmental durability and high reaction selectivity, yet it is difficult to achieve flexible design and operation. Herein, mesocrystal nanosheets （MCNSs） of vanadium nitride （VN） are synthesized via a confined-growth route from thermally stable layered vanadium bronze, representing the first two-dimensional （2D） metallic mesocrystal in inorganic compounds. Benefiting from their single-crystalline-like long-range electronic connectivity, VN MCNSs deliver an electrical conductivity of 1.44×10^5 S/m at room temperature, among the highest values observed for 2D nanosheets. Coupled with their unique pseudocapacitance, VN MCNS-based flexible supercapacitors afford a superior volumetric capacitance of 1,937 mF/cm3. Nitride MCNSs should have wide applications in the energy storage and conversion fields because their intrinsic high conductivity is coupled with the reactivity of inorganic lattices.