摘要：压电催化技术是一种新兴的催化方法,能够有效地将清洁、丰富的机械能(如水流动能、潮汐能和风能)转化为化学能,在化学催化领域展现出显著潜力,为环境修复和能源管理提供可持续的解决方案.金属钛酸盐因其良好的压电响应、环保特性和成本效益,在压电催化领域备受关注.然而,压电催化活性的不足限制了其实际应用.为克服这一挑战,提高机械能响应效率和减少能量转换过程中的损失成为关键.研究人员通常从两个核心策略出发:一是优化压电性能,二是调控载流子传输.深入理解这些策略在提高压电催化活性中的核心作用,对于设计高效压电催化剂并推动压电催化技术发展具有重要意义.本文系统地总结了金属钛酸盐的分类、合成方法和设计策略.首先,根据其在压电催化中的应用,将金属钛酸盐分为单金属钙钛矿钛酸盐、多金属钙钛矿钛酸盐和层状类钙钛矿钛酸盐,并从结构角度揭示了其压电特性的起源.其次,概述了金属钛酸盐的主要制备方法,包括水热法、固态反应法、熔盐法和静电纺丝法,并从提升催化性能角度比较了它们的优缺点.在金属钛酸盐的设计策略部分,探讨了构建准同型相界、应变工程、居里点控制、外场诱导极化和定向晶体生长等方法对改善压电性能的可行性.特别是,构建准同型相界和采用外场诱导极化,可以分别降低极化旋转的能垒和诱导宏观极化,在提升金属钛酸盐压电催化性能方面表现出显著效果.此外,还强调了助催化剂负载、碳材修饰和半导体异质结构在促进载流子分离中的重要作用.其中,空间分离的助剂修饰能够较大程度地提高载流子的分离效率,进而显著增强压电催化性能.最后,本文对基于金属钛酸盐的压电催化剂的技术发展进行了展望,旨在推动压电催化剂的合理设计和实际应用.具体建议包括:(1)规范压电催化性能评价体系,以实现不同系统间催化剂性能的统一、合理评价;(2)综合评估影响压电催化的因素,寻求最优解,并加强多种策略的耦合设计;(3)加强有限元模拟和密度泛函理论等理论支撑,开发应用原位技术,以深入探究压电效应在催化过程中的具体贡献,加深对压电催化机理的理解;(4)发展基于低速搅拌、水冲洗、机械刷等微弱动力的压电催化技术,并设计对低频机械能敏感的新型催化剂,以适应自然界的能量条件;(5)研究宏观支撑的压电催化剂设计,以提高在应力条件下的稳定性,同时增强可持续利用性;(6)耦合其他先进的氧化工艺,以加速活性物质的生产.综上,本文聚焦环境修复和能源应用,深入分析了从压电特性改善和载流子运输调节两个角度出发的多种策略在提升金属钛酸盐压电催化性能中的关键作用,并对该领域的未来发展趋势和面临的挑战进行了展望.本文旨在为高效压电催化剂的设计提供参考和借鉴.

摘要：发展电化学氮气还原反应(NRR)的合成氨技术可以有效缓解工业上的哈伯-博什法合成氨的化石燃料消耗与碳排放问题.同时,氨是一种无碳的能源载体,NRR可以实现可再生能源的转换,因此具有广阔的发展前景.然而,高效催化剂的缺乏限制了NRR技术的发展.为此,人们对开发高效催化剂进行了广泛的探索,其中密度泛函理论(DFT)计算在辅助催化剂设计方面发挥了重要作用.在本综述中,我们总结了最近的催化剂设计策略,这些策略的目的是提高NRR的催化活性和选择性.此外,本综述还回顾了具有代表性的计算工作,并对进一步改善催化性能提出了见解.最后,本综述简要讨论了通过DFT计算进行催化剂设计所面临的挑战和机遇.目的在于指导人们采用更有效的设计策略来实现高效的NRR过程.

摘要：Based on the building principle of additive manufacturing,printing orientation mainly determines the tribological properties of joint *** this study,we created a polyether-ether-ketone(PEEK)joint prosthesis using fused filament fabrication and investigated the effects of printing orientation on its tribological properties using a pin-on-plate tribometer in 25% newborn calf *** ultrahigh molecular weight polyethylene transfer film is formed on the surface of PEEK due to the mechanical capture of wear debris by the 3D-printed groove morphology,which is significantly impacted by the printing orientation of *** the printing orientation was parallel to the sliding direction of friction,the number and size of the transfer film increased due to higher steady *** transfer film protected the matrix and reduced the friction coefficient and wear rate of friction pairs by 39.13%and 74.33%,***,our findings provide a novel perspective regarding the role of printing orientation in designing knee prostheses,facilitating its practical applications.

摘要：提出一种基于机器学习的合金快速设计系统(ARDS),以定制所需性能的合金制备策略或预测制备策略所对应的合金性能。为此,分别对3种回归算法:线性回归(LR)、支持向量回归(SVR)和人工神经网络(BPNN)进行建模和比较以训练多性能预测模型。其中,应用SVR构建的机器学习模型被证明是最佳的。然后,基于生成对抗网络(GAN)模型原理,构建Al-Zn-Mg-Cu系铝合金快速设计系统(ARDS)。对ARDS的预测可靠性进行验证。结果表明,为了能够获得准确的制备策略,系统中极限抗拉强度(UTS)、屈服强度(YS)和伸长率(EL)的输入上限分别约为790 MPa、730 MPa和28%。此外,基于ARDS预测结果,制备了一种性能优异的新型铝合金材料,其UTS为764 MPa、YS为732 MPa、EL为10.1%,进一步验证了ARDS的可靠性。

摘要：Lithography is a pivotal micro/nanomanufacturing technique,facilitating performance enhancements in an extensive array of devices,encompassing sensors,transistors,and photovoltaic *** key to creating highly precise,multiscale-distributed patterned structures is the precise control of the lithography ***,high-quality patterned ZnO nanostructures are constructed by systematically tuning the exposure and development times during *** optimizing these parameters,ZnO nanorod arrays with line/hole arrangements are successfully *** ZnO nanostructures with highly controllable morphology and structure possess discrete three-dimensional space structure,enlarged surface area,and improved light capture ability,which achieve highly efficient energy conversion in perovskite solar *** lithography process management for these patterned ZnO nanostructures provides important guidance for the design and construction of complex nanostructures and devices with excellent performance.

摘要：The conversion and storage of photothermal energy using phase change materials(PCMs)represent an optimal approach for harnessing clean and sustainable solar ***,we encapsulated polyethylene glycol(PEG)in montmorillonite aerogels(3D-Mt)through vacuum impregnation to prepare 3D-Mt/PEG composite *** used as a support matrix,3D-Mt can effectively prevent PEG leakage and act as a flame-retardant barrier to reduce the flammability of ***,3D-Mt/PEG demonstrates outstanding shape retention,increased thermal energy storage density,and commendable thermal and chemical *** phase transition enthalpy of 3D-Mt/PEG can reach 167.53 J/g and remains stable even after 50 heating-cooling ***,the vertical sheet-like structure of 3D-Mt establishes directional heat transport channels,facilitating efficient phonon *** configuration results in highly anisotropic thermal conductivities that ensure swift thermal responses and efficient heat *** study addresses the shortcomings of PCMs,including the issues of leakage and inadequate flame *** achieves the development and design of 3D-Mt/PEG with ultrahigh strength,superior flame retardancy,and directional heat ***,this work offers a design strategy for the preparation of high-performance composite *** 3D-Mt/PEG with vertically aligned and well-ordered array structure developed in this research shows great potential for thermal management and photothermal conversion applications.

摘要：A combination of hydrogels and microfluidics allows the construction of biomimetic three-dimensional(3D)tissue models in vitro,which are also known as *** hydrogel patterningwith awell-controlled spatial distribution is typically achieved by embedding sophisticated microstructures to act as a ***,these physical barriers inevitably expose cells/tissues to a less physiologically relevant microenvironment than in vivo ***,we present a novel dissolvable temporary barrier(DTB)strategy that allows robust and flexible hydrogel patterning with great freedom of design and desirable flow stimuli for cellular *** key aspect of this approach is the patterning of a water-soluble rigid barrier as a guiding path for the hydrogel using stencil printing technology,followed by a barrier-free medium perfusion after the dissolution of the *** and multiple tissue compartments with different geometries can be established using either straight or curved DTB *** effectiveness of this strategy is further validated by generating a 3D vascular network through vasculogenesis and angiogenesis using a vascularized microtumor *** a new proof-of-concept in vasculature-on-a-chip,DTB enables seamless contact between the hydrogel and the culture medium in closed microdevices,which is an improved protocol for the fabrication ofmultiorgan ***,we expect it to serve as a promising paradigm for organ-on-a-chip devices for the development of tumor vascularization and drug evaluation in the future preclinical studies.

摘要：基于第一性原理计算,我们通过将客体原子嵌入β-C_(3)N_(2)笼状结构的内在空腔中,预测了机械超硬和可控磁性的共存.以氢掺杂(H@β-C_(3)N_(2))和氟掺杂(F@β-C_(3)N_(2))为例,我们的研究表明两种掺杂构型是稳定的,并发现它们分别属于反铁磁半导体和铁磁半金属.这些有趣的磁相变源于它们在费米能级周围独特的能带结构,并可通过具有半填充占据的3D Hubbard模型和Stoner模型很好地解释.此外,H@β-C_(3)N_(2)和F@β-C_(3)N_(2)的高维氏硬度(49.0和48.2 GPa)表明它们具有笼状超硬材料特征.因此,氢和氟在β-C_(3)N_(2)笼中的掺杂分别产生了一种新型的超硬反铁磁半导体和超硬铁磁半金属,这些材料在极端条件下具有潜在的应用前景.我们的工作为设计具有优异机械性能和磁性的新型高性能多功能材料提供了一种有效的策略,这可能会为超硬材料未来在自旋电子学的应用提供理论依据.

摘要：Bacterial infection is a major problem following bone implant ***,poly-l-lactic acid/carbon nanotube/hydroxyapatite(PLLA/CNT/HAP)bone scaffolds possess enhanced mechanical properties and show good ***,wesynthesizedsilver(Ag)-dopedCNT/HAP(CNT/Ag-HAP)nanohybrids via the partial replacing of calcium ions(Ca2+)in the HAP lattice with silver ions(Ag+)using an ion doping technique under hydrothermal ***fically,the doping process was induced using the special lattice structure of HAP and the abundant surface oxygenic functional groups of CNT,and involved the partial replacement of Ca2+in the HAP lattice by doped Ag+as well as the in situ synthesis of Ag-HAP nanoparticles on CNT in a hydrothermal *** result-ing CNT/Ag-HAP nanohybrids were then introduced into a PLLA matrix via laser-based powder bed fusion(PBF-LB)to fabricate PLLA/CNT/Ag-HAP scaffolds that showed sustained antibacterial *** then found that Ag+,which pos-sesses broad-spectrum antibacterial activity,endowed PLLA/CNT/Ag-HAP scaffolds with this activity,with an antibacterial effectiveness of 92.65%.This antibacterial effect is due to the powerful effect of Ag+against bacterial structure and genetic material,as well as the physical destruction of bacterial structures due to the sharp edge structure of *** addition,the scaffold possessed enhanced mechanical properties,showing tensile and compressive strengths of 8.49 MPa and 19.72 MPa,***,the scaffold also exhibited good bioactivity and cytocompatibility,including the ability to form apatite layers and to promote the adhesion and proliferation of human osteoblast-like cells(MG63 cells).

摘要：光催化CO_(2)还原合成太阳能燃料对缓解CO_(2)排放引起的全球变暖和降低化石燃料消耗具有重要意义.然而,目前的光催化剂仍然存在反应动力学缓慢和选择性不理想的问题,特别是对于C_(2+)产物的生成,极大地限制了光催化的工业化进程.过去几十年中,关于太阳能驱动的CO_(2)还原的研究展示出鼓舞人心的结果,包括活性位点的构建.本综述重点介绍了通过构建活性位点制备原子级分散催化剂在光催化CO_(2)还原中的最新进展,包括两个独立的活性位点、成对双活性位点和基于活性位点构型的纳米团簇.此外,详细讨论了CO_(2)在活性位点上的活化机制和表征方法.特别是考虑到实验研究与实际应用之间的差距,整合实验和理论的结果,以实现潜在的结构-活性关系和高目标产物选择性发展.最后,概述了该领域存在的挑战,并展望了活性位点的合理设计和机理研究.