摘要：磁场触发的催化剂轨道电子自旋排列已成为促进析氧反应的一种有趣而可行的策略.然而,具有强d-d库仑相互作用的高熵合金(HEAs)催化剂中的磁场增强机制尚未得到充分挖掘.在此,我们设计了具有优异软磁性的高熵合金金属片,在微小磁场下表现出显著的磁场增强催化作用,其磁导率可作为评估磁场增强的描述因子.具体地,仅施加50 mT的磁场,(FeCoNi)_(82.5)Cr_(17.5)HEAs的过电位下降就超过了36mV@10 mA cm^(-2).此外,过电位的降低与HEA的磁导率呈线性关系.原位拉曼光谱与理论计算结果表明,施加磁场可显著提高自旋密度,改善催化剂的3d电子与*O自由基的2p轨道之间的自旋相互作用,从而有效降低速率决定步骤(*O→*OOH)的能量障碍,进而促进O-O的形成.

摘要：Rational composition design of trimetallic phosphide catalysts is of significant importance for enhanced surface reaction and efficient catalytic ***,hierarchical Co_(x)Ni_(y)Fe_(z)P with precise control of stoichiometric metallic elements(x:y:z=(1-10):(1-10):1)has been synthesized,and Co_(1.3)Ni_(0.5)Fe_(0.2)P,as the most optimal composition,exhibits remarkable catalytic activity(η=320 mV at 10 mA cm^(−2))and long-term stability(ignorable decrease after 10 h continuous test at the current density of 10 mA cm^(−2))toward oxygen evolution reaction(OER).It is found that the surface P in Co_(1.3)Ni_(0.5)Fe_(0.2)P was replaced by O under the OER *** density function theory calculations before and after long-term stability tests suggest the clear increasing of the density of states near the Fermi level of Co_(1.3)Ni_(0.5)Fe_(0.2)P/Co_(1.3)Ni_(0.5)Fe_(0.2)O,which could enhance the OH−adsorption of our electrocatalysts and the corresponding OER performance.

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.

摘要：Tandem electrocatalysis is an emerging concept for effective electrochemical CO_(2) reduction reaction(CO_(2)RR)towards multicarbons(C_(2+)).This decouples the multiple steps of CO_(2)-to-C_(2+)into two steps of CO_(2)-to-CO and CO-to-C_(2+)catalyzed by individual catalysts,to improve the Faradic efficiency(FE).However,due to the mass-transport limitation of CO from the generation site to the long-distance consumption site,such a strategy still remains challenge for high-rate production of C_(2+)***,we designed CuO/Ni single atoms tandem catalyst,which made the catalytic sites of Ni and Cu for independently catalyzing CO_(2)-to-CO and CO-to-C_(2+)compactly neighbored,enabling the in-situ generation and rapid consumption of *** CuO/Ni SAs tandem catalyst achieved a particularly high partial current density of C_(2+)products(1220.8 mA/cm^(2)),while still maintained outstanding C_(2+)products FE(81.4%)and excellent selectivities towards ethylene(FE 54.1%)and ethanol(FE 28.8%),enabling the profitable production of multicarbons by CO_(2)RR.

摘要：Recently, it has been demonstrated that memristors can be utilized as logic operations and memory elements. In this paper, we present a novel circuit design for complementary resistive switch（CRS）-based stateful logic operations. The proposed circuit can automatically write the destructive CRS cells back to the original states. In addition, the circuit can be used in massive passive crossbar arrays which can reduce sneak path current greatly. Moreover, the steps for CRS logic operations using our proposed circuit are reduced compared with previous circuit designs. We validate the effectiveness of our scheme through Hspice simulations on the logic circuits.

摘要：Due to their unique surface chemistry,highly adjustable metal components,hydrophilicity,and high carrier concentrations,MXenes are applied in a variety of *** to other two-dimensional(2D)materials,building heterostructures with additional materials to form a 3D porous architecture for MXenes can significantly enhance their functionality and ***,the open structures and well-defined pathways of these 3D structured MXenes can improve ionic and electronic transport,thereby promoting their applications in electrochemical energy storage,sensing,catalysis,and *** this review,the recent efforts made on preparing 3D porous MXenes with heterostructures,focusing on MXenes/C,MXenes/inorganics,and MXenes/polymers were *** discussion covers aspects ranging from the design to synthesis of 3D porous MXenes,and their applications in photocatalysis,environmental monitoring and electrochemical energy *** review is concluded by presenting the prospects and insights on exploring the relationships between the porosity formation mechanisms,properties and applications of the 3D porous MXenes *** review can provide meaningful guidance for the design,fabrication and application of 3D porous MXenes in high-performance materials and devices.

摘要：Cone snail venoms have been considered a valuable treasure for international scientists and businessmen, mainly due to theirpharmacological applications in development of marine drugs for treatment of various human diseases. To date, around 800Conus species are recorded, and each of them produces over 1,000 venom peptides (termed as conopeptides or conotoxins).This reflects the high diversity and complexity of cone snails, although most of their venoms are still *** multiomics (such as genomics, transcriptomics, and proteomics) approaches have been recently developed to minediverse Conus venom samples, with the main aim to predict and identify potentially interesting conopeptides in an efficientway. Some bioinformatics techniques have been applied to predict and design novel conopeptide sequences, related targets, andtheir binding modes. This review provides an overview of current knowledge on the high diversity of conopeptides andmultiomics advances in high-throughput prediction of novel conopeptide sequences, as well as molecular modeling and designof potential drugs based on the predicted or validated interactions between these toxins and their molecular targets.

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.