【大学化学】doi: 10.12461/PKU.DXHX202403096
Bohrium科学计算云平台具有易配置计算环境、易部署安装软件、易成员协作和计算资源充沛等优势,可解决传统计算模拟课程教学中的软件安装、理论和实践割裂等问题,为材料和化学计算模拟课程教学提供极大便利,可显著提高课程教学效率。本文重点介绍Bohrium平台的特色以及教学优势,并展示基于Bohrium平台的分子建模、分子动力学模拟等实验案例设计。
【大学化学】doi: 10.12461/PKU.DXHX202405147
仪器分析实验“分子荧光法测定罗丹明B的含量”存在实验过于简单、未考虑实际情况等问题。因此,本改进实验在三维荧光扫描模式下获取样本数据,不进行复杂预处理,而是运用化学计量学算法解析出目标分析物的纯信号,进而实现了染色辣椒中罗丹明6G和123的同时测定。本改进实验提高了学生全面考虑问题和创新解决问题的能力。
【无机化学学报】doi: 10.11862/CJIC.20240219
A simple two-step hydrothermal method synthesized four different CdS/Fe3O4 photocatalysts with varying ratios of mass of CdS to Fe3O4. The composition and morphology of the prepared samples were investigated using X-ray diffraction (XRD), Raman spectrum, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Solid UV reflectance spectra testing found that CdS/Fe3O4 nanocomposites had good light absorption throughout the spectral range, promoting their photocatalytic properties. Under visible light irradiation, CdS/Fe3O4 (2:5) with a mass ratio of 2:5 exhibited excellent photocatalytic performance, with a degradation rate of 98.8% for rhodamine B. Furthermore, after five cycles of photocatalytic degradation reaction, the rhodamine B degradation rate remained at 96.2%, indicating that the photocatalysts have good photocatalytic stability.
【无机化学学报】doi: 10.11862/CJIC.20230402
以碳纳米管(CNT)为原料,通过负载维生素B12,简单热解得到了一种氮掺杂碳纳米管(N/CNT)负载低含量Co3O4纳米颗粒的氧还原电催化剂(Co3O4@N/CNT)。得益于均匀分散的Co3O4纳米颗粒以及氮掺杂,Co3O4@N/CNT表现出了优异的氧还原催化性能,其半波电位达到了0.844 V (vs RHE),超越了商业Pt/C (0.820 V (vs RHE))。与Pt/C相比,基于Co3O4@N/CNT组装的锌-空气电池表现出了更优的放电性能和循环稳定性。