摘要：This essay discusses some preliminary thoughts on the development of a rational and modular approach for molecular design in soft matter engineering and proposes ideas of structural and functional synthons for advanced functional materials. It echoes the Materials Genome Initiative by practicing a tentative retro-functional analysis （RFA） scheme. The importance of hierarchical structures in transferring and amplifying molecular functions into macroscopic properties is recognized and emphasized. According to the role of molecular segments in final materials, there are two types of building blocks： structural synthon and functional synthon. Guided by a specific structure for a desired function, these synthons can be modularly combined in various ways to construct molecular scaffolds. Detailed molecular structures are then deduced, designed and synthesized precisely and modularly. While the assembled structure and property may deviate from the original design, the study may allow further refinement of the molecular design toward the target function, The strategy has been used in the development of soft fullerene materials and other giant molecules. There are a few aspects that are not yet well addressed： （1） function and structure are not fully decoupled and （2） the assembled hierarchical structures are sensitive to secondary interactions and molecular geometries across different length scales. Nevertheless, the RFA approach provides a starting point and an alternative thinking pathway by provoking creativity with considerations from both chemistry and physics. This is particularly useful for engineering soft matters with supramolecular lattice formation, as in giant molecules, where the synthons are relatively independent of each other.

摘要：A series of sphere-rod shape amphiphiles were designed and synthesized by connecting the rod-like oligofluorenes with different lengths （OF,） to the different positions of the spherical [60]fullerene （C60） through a rigid linkage. The conjugates were characterized by IH-NMR, 13C-NMR, FTIR, EA and MALDI-TOF mass spectrometry. The optical and electronic properties of the conjugates were studied by UV-Vis absorption spectroscopy, fluorescence spectrometry, and cyclic voltammetry. The results from UV-Vis absorption spectroscopy and cyclic voltammetry indicated that the energy profiles of C60 and OFn remained unchanged when different lengths of OFn were attached to C60. The electron affinities of the OFn-C60 conjugates were close to that of C60, while slight electronic interaction was found between the two individual chromophores （C60 and OFn） in their ground states. The fluorescence spectra exhibited a complete fluorescence quenching in the toluene solution, suggesting an effective energy transfer from OFn to C60. It presents a systematic study on the self- assembly, structure-property relationship, and potential technical applications of the conjugates.

摘要：开发高性能、稳定的双功能电催化剂是一个具有挑战性的课题.本工作基于界面工程和空位工程,通过电沉积成功构建了一种富含氧空位的异质结催化剂.所制备的催化剂V_(O)-Co(OH)_(2)/CoN在碱性电解质中具有良好的双功能催化活性和稳定性,在10 mA cm^(-2)条件下,析氢反应的过电位为52 mV,析氧反应的过电位为206 mV,且其全水分解电压仅为1.518 V.更重要的是,实验和密度泛函理论计算都证实了V_(O)-Co(OH)_(2)/CoN优异的双功能活性归因于异质界面和氧空位的协同催化.在异质界面附近,一个Co原子和一个氧空位共同形成一个活性Co空位对,通过改变反应路径协同促进水分解.氧空位不仅作为活性位点直接参与催化过程,还能有效调节电子密度,提高催化剂的导电性.本工作对于指导高性能催化剂的设计和深入了解催化机理具有重要意义.

摘要：智能仿生软材料是近年来科学研究的重点之一.液晶高分子材料是众多软材料中最有发展潜力的材料之一.目前通过液晶高分子材料制备具有复杂功能和多种响应的仿生器件主要通过两种方法,其一是引入多种响应性基团,赋予材料多重响应.另一个是构建单一刺激下具有变形变色协同功能的材料.然而,结合这两种策略,构建既具有多重刺激响应,又能协同变形变色的新型液晶高分子仍然是一个挑战.为此,本工作通过结合光响应性液晶网络和亲水的聚(2-羧乙基丙烯酸酯共丙烯酸)层(PC),制备了一种光和湿度双重响应的软驱动器.在紫外光的驱动下,偶氮苯的分子异构驱动复合薄膜的各向异性形变.环境湿度的变化能使亲水的PC层发生溶胀和脱水,使薄膜发生另一模式的形变.由于薄膜内部荧光分子与水分子的协同作用,PC膜的荧光强度增强.由于整合了双重响应性和协同行为,这种新型的双响应驱动器在制造智能软体机器人方面具有较大的潜力.通过合理的设计,我们制备了一个光驱动的智能软体机器人.该机器人表现出检测水、改变运动模式和荧光强度的能力,在构筑具有识别、响应和自我调整能力的多功能软体机器人方面具有实际应用潜力.