【大学化学】doi: 10.12461/PKU.DXHX202406101
物理化学是药学专业的必修课程,在药物研发、生产、检验和贮存等方面发挥着重要的理论和实践指导作用。作为广东省一流线下课程,在物理化学课程教学中,贯彻以学生为本,实践“一核心、三融合、三提升”的教学理念。课程与思政、专业知识、科学前沿进行深度融合,激发学生的学习兴趣,培养学生解决实际问题的能力和创新性科学思维,同时课程有丰富的思政教育元素,培养学生正确的世界观和价值观。通过课程学习,全面提升学生的知识水平、能力水平和素质水平,培养学生成为德才兼备的创新型人才。
【无机化学学报】doi: 10.11862/CJIC.20250036
Hollow multi-shelled structure (HoMS) is the novel multifunctional structural system, which are constructed with nanoparticles as structural units, featuring two or more shells, multiple interfaces, and numerous channels and demonstrating outstanding properties in energy conversion and mass transfer. In recent years, owing to the breakthroughs in synthetic methods, the diversity of composition and structure of HoMS has been greatly enriched, showing broad application prospects in energy, catalysis, environment and other fields. This review focuses on the research status of HoMS for catalytic applications. Firstly, the new synthesis method for HoMS, namely the sequential templating approach, is introduced from both practical and theoretical perspectives. Then, it summarizes and discusses the structure-performance relationship between the shell structure and catalytic performance. The unique temporal-spatial ordering property of mass transport in HoMS and the major breakthroughs it brings in catalytic applications are discussed. Finally, it looks forward to the opportunities and challenges in the development of HoMS.
【物理化学学报】doi: 10.1016/j.actphy.2025.100224
二维Ⅲ族氮化物(h-BN、h-AlN、h-GaN与h-InN)因其类石墨烯结构、热稳定性及宽禁带特性,在电子与光电器件中具有重要潜力。传统的密度泛函理论(DFT)与经典分子动力学(MD)方法分别在计算精度与尺度有优势,但也限制了其在高精度的大尺度结构与性能研究中的应用。本文引入深度势能(DP)方法,构建了高精度机器学习势函数(MLP),系统研究了二维Ⅲ族氮化物的晶格动力学、热力学、力学与热输运特性。深度势能对能量与原子力的预测接近GGA/PBE的精度,并准确重现了声子色散及0–1200 K范围内的热力学函数(自由能、热容、熵)。通过MD方法进行单轴拉伸模拟,揭示各材料的力学行为差异。h-BN刚性强且易脆断,h-AlN与h-GaN具有良好的强度和延展性,h-InN整体机械性能较弱。基于修正的非平衡分子动力学(NEMD)方法计算了材料热导率,发现h-BN与h-AlN表现出显著的长度依赖性,源于声子平均自由程较长。h-GaN与h-InN由于声子散射增强,热导率整体偏低。本研究结果表明,DP方法兼具GGA/PBE精度与大尺度模拟能力方面优势,不仅提升了对二维Ⅲ族氮化物结构性能的理解,也为其在材料设计和器件的应用提供了计算框架与理论依据。
