摘要：With the strict control of sulfur content in fuels,oxidative desulfurization(ODS),a promising desulphurization technology,needs to be continuously *** this study,we integrated multiple approaches(fabricating a porous structure,increasing phosphomolybdic acid(PMo)loading,improving amphiphilicity,and enhancing the intrinsic activity of PMo using a reductive framework)into PAF-54 carriers to improve ODS catalytic *** catalytic performance suggested that PAF-54 was not simply used as a carrier for PMo by physical *** the binding process,electron transfer between PAF-54 and PMo formed Mo^(5+)with superior catalytic *** to the presence of PAF-54,the catalytic activity of PMo as the active component qualitatively improved to achieve rapid and efficient *** importantly,we found that other nitrogen-rich porous organic polymers can also reduce some of Mo^(6+)in PMo during loading,and its formation mechanism was *** work provides a feasible strategy for designing highly efficient DOS catalysts.

摘要：Corrosion,more specifically,pitting corrosion happening extremely in marine environments,leads to lifespan of materials drastically decreasing in service,which causes enormous economic loss and even environmental disaster and *** the past decade,increasing efforts have been made to study the corrosion behaviors of materials in chloride-containing aqueous ***,this work provides an overview of recent progress in understanding the degradation mechanism and improving the corrosion resistance and corrosion-wear resistance of materials from bulk metal to surface treatment involving organic coating,metal and its alloy or compound *** particular emphasis is given to the periodic layered structures(PLSs),whose anti-corrosion properties outperformed others to some extent,wherever in terms of bulk metal or surface treatment,regardless of aggressive environment(corrosion or corrosion-wear conditions).Numerical simulation based on kinds of models at different scales is introduced to deeply understand the process of corrosion and/or corrosion-wear in chloride-containing aqueous *** experimental result with numerical simulation,the micro-galvanic corrosion dominated degradation mechanism of PLSs is critically *** of setups to realize corrosion-wear in laboratory are also *** last,future research and development are prospected,offering to develop a basic application of PLSs designed by corrosion protection methodology in the near future.

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：单质硅是一种有潜力的高容量锂离子电池负极材料.然而,受限于充放电过程中巨大的体积膨胀,其循环性能并不理想.在这个工作中,我们设计了一种独特的三组分复合负极材料(Si/Cr_(2)O_(3)/C),其中Si纳米颗粒被限域在碳包覆的氧化铬多层空心球(MSHSs)中.得益于Cr_(2)O_(3)/C基体的体积变化缓冲能力与优异的结构稳定性,将Si纳米颗粒封装在MSHSs中可以有效地提高其电化学性能.合理的结构设计赋予了Si/Cr_(2)O_(3)/C三组分复合材料高的可逆容量(在100 mA g^(-1)的电流密度下,比容量为1351 mA h g^(-1))和稳定的循环性能(在500 mA g^(-1)的电流密度下,循环300次后比容量保持在716 mA h g^(-1)).这一工作提出了一种多壳层空心结构设计的新思路,以解决硅基负极材料循环性差的瓶颈.

摘要：电催化硝酸根还原制氨是调节全球氮循环和合成氨的一种很有前景的方法.当前实现高效硝酸根还原制氨(NRA)的关键问题是开发具有高活性、选择性和稳定性的催化剂.本文通过把过渡金属(TM:3d=Sc-Zn,4d=Y-Cd,5d=La-Hg)锚定在二维材料Ti_(3)C_(2)O_(2)MXene(Ti_(3)C_(2)O_(2)-TM)上,筛选出新的NRA单原子催化剂.本工作采用密度泛函理论进行理论计算,发现Ti_(3)C_(2)O_(2)上的表面O官能团对TM具有较高的锚定能力,同时材料拥有良好的抗溶解稳定性.此外,锚定的TM与硝酸根之间强的p-d耦合作用使NO_(3)-易于活化.锚定TM在费米能级处有较高的不饱和d轨道,具有良好的稳定性和NO_(3)-活化能力.基于此,本文筛选出10种前线分子轨道在d5附近的Ti_(3)C_(2)O_(2)-TMs(TM=Cr,Mn,Fe,Tc,Ru,W,Re,Os,Ir,Pt),并且最有利的反应路径是持续的脱氧加氢:NO_(3)-→*NO_(3)→*NO_(2)→)*NO→*N→*NH→*NH_(2)→*NH_(3)→NH_(3)(g).本工作认为Ti_(3)C_(2)O_(2)-CrSA、Ti_(3)C_(2)O_(2)-ReSA和Ti_(3)C_(2)O_(2)-OsSA这3种具有低NRA过电位的Ti_(3)C_(2)O_(2)-TM是优异的NRA催化剂.这些发现为设计低能耗、低碳排放的先进氨合成路线提供了新策略.