CAJ | 학술논문

通过对各向异性粒子表面“补丁”的类型、数量、位置等因素进行设计和调控，研究了各向异性粒子的定向可控自组装。对表面修饰的球、棒等粒子的自组装行为模拟表明，其组装结构取决于粒子本身的各向异性及表面“补丁”的性质，并且可以通过合理设计得到目标微结构。如果使用动态共价键将分子链接枝到粒子表面，可以得到具有动态响应性质及有序组装结构的“智能”材料。另外，基于生物分子螺旋结构的仿生设计，在粒子表面设计修饰上特定的互补的“补丁”对，得到了可调整螺距和半径的螺旋组装结构，可用于制备具有不同催化或光学活性的手性材料。这些研究表明，通过合理设计粒子表面性质，可以制备出具有特定目标结构和性质的粒子组装结构，极大地拓宽了纳米粒子、胶体粒子在生物、医药和光电器件材料等方面的应用范围。
통과대각향이성입자표면“보정”적류형、수량、위치등인소진행설계화조공，연구료각향이성입자적정향가공자조장。대표면수식적구、봉등입자적자조장행위모의표명，기조장결구취결우입자본신적각향이성급표면“보정”적성질，병차가이통과합리설계득도목표미결구。여과사용동태공개건장분자련접지도입자표면，가이득도구유동태향응성질급유서조장결구적“지능”재료。령외，기우생물분자라선결구적방생설계，재입자표면설계수식상특정적호보적“보정”대，득도료가조정라거화반경적라선조장결구，가용우제비구유불동최화혹광학활성적수성재료。저사연구표명，통과합리설계입자표면성질，가이제비출구유특정목표결구화성질적입자조장결구，겁대지탁관료납미입자、효체입자재생물、의약화광전기건재료등방면적응용범위。
Using computer simulations, the controlled self-assembly of a series of patchy particles through rational design of various parameters of the surface patches was investigated, such as number of patches, position of patches and patch-patch interactions. The simulation of the self-assembly of spheres and rods with different surface properties indicated that the obtained morphologies depend on the anisotropy of particle and the arrangements and types of patches. By harnessing dynamic covalent bonds between particles and patches, a novel class of structures with ordered self-assembly and responsive properties was obtained. In addition, inspired by the sophisticated biological helices, large helices with tunable structural metrics and optical response were also obtained. These results showed that the targeted, precise and ordered self-assembled structure and corresponding performance could be achieved through the rational design of patchy particles. In this context, these patchy particles might provide new generations of materials with the potential for a variety of applications.