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关键词： 金课   课程群建设   材料化学   教学改革  

摘要： 建设符合"两性一度"标准的"金课"是当前课程建设的目标。燕山大学材料化学专业结合OBE教学理念,以项目实施为主线,从增加课程难度、拓展课程深度、将理论课程与实践教学环节有机结合、合理提升学业挑战度等方面着手,进行"超级金课"课程群建设;将CDIO理念贯穿整个教学过程,实现了知识、能力、素质培养的有机融合;同时采用多样化的考核评价方式,注重考查学生解决复杂问题的能力和创新精神。课程群建设可为其他高校的"金课"建设提供参考。

摘要： The “Materials Chemistry” Section of Molecules is an open access place for the dissemination of theoretical and experimental studies related to the chemical approaches to materials-based problems. Taking advantages from knowledge in chemistry, biotechnology, chemical engineering, physics, and materials science, the Section aims to become an interdisciplinary environment where the different expertise act synergistically to focus the progress in the field of creating and manipulating new materials.

摘要： Spanning from polymers and composites to metallic, ceramic, and hybrid materials, as well as nano- and micromaterials, chemistry is unique in creating diverse arrays of new materials for applications in catalysis, energy conversion and storage, advanced electronics, environmental devices, drug delivery, smart textiles, packaging systems, or scaffolding for tissue engineering—to name but a few, with potential broad scientific and societal impact. Materials Chemistry is experiencing a paradigm shift from traditional production technologies and practices to one that assigns value to the replacement of fossil fuels with renewable resources, waste minimization, and avoiding the use of substances that pose serious risk to human health and the environment. Morais, E.S.; da Costa Lopes, A.M.; Freire, M.G.; Freire, C.S.R.; Coutinho, J.A.P.; Silvestre, A.J.D. Use of Ionic Liquids and Deep Eutectic Solvents in Polysaccharides Dissolution and Extraction Processes towards Sustainable Biomass Valorization.

关键词： Metal ions  

摘要： This article surveys the relationship between ligand type, coordination geometry and metal spin state in complexes of iron and other metal ions. Compounds and materials containing high-, intermediate- and low-spin metal ions differ in their molecular structures, their physical properties and their chemical reactivity. Implications and applications of these variations are summarised, including the use of base metals in light-harvesting dyes and in different forms of catalysis. Recent studies of the electronic influence of ligand substituents, or ligand conformational constraints, on metal ion spin states are described, which have revealed unexpected complexities.

关键词： 翻转课堂   有机化学   教学  

摘要： 翻转课堂是基于因特网和计算机技术的创新教学模式。相对于传统教学模式,翻转课堂改变了课堂教学秩序和知识内化。大学有机化学教学中,教师可在翻转课堂上提供在线学习资源,引导学生进行自编自演、互动式的课堂教学活动,开展有机化学翻转课堂教学。

关键词： Supramolecular chemistry   Molecular materials   Chalcogen bonding   Crystal structure  

摘要： This review examines recent literature in search for evidence of the influence that chalcogen bonding has on the structure and properties of functional materials. Key examples from research on charge transfer salts, neutral heterocyclic free radicals, and paramagnetic coordination compounds are highlighted as intermolecular interactions are critical to properties such as conductivity and magnetic response. Other cases reviewed include the influence of chalcogen bonding on optical properties such as the electronic absorption spectra and the nonlinear optical response of non-centrosymmetric crystal structures. There is also evidence that this type of interaction between molecules translates into macroscopic mechanical properties such as the bulk modulus. (C) 2020 Elsevier B.V. All rights reserved.

关键词： 材料化学   课程思政   教学改革  

摘要： 从新时代高校立德育人的必然要求,通过对专业课程内容包含思想政治教育元素的探索与开发,发挥专业课程辅助思政专业进行思想政治教育的作用,进行材料化学“课程思政”教学改革探索。基于该课程教学大纲的宗旨,制定课程思政背景下专业课程的培养目标,通过实例枚举式、自由探索式、任务设计式等教学方法,在基础知识讲授过程中穿插进行思政教育元素的灌输,同时提升专业基础与思想政治素质,达到专业知识与思政教育的有机统一。

关键词： 3D打印   材料化学   应用型人才   教学改革  

摘要： 随着3D打印技术的不断发展,其在各行业中具有革命性的应用潜力。文章从培养创新应用型人才的需求出发,对材料化学专业课程教学的现状进行了分析,用课程实例探讨了新兴3D打印技术在本专业课程教学中应用的可行性及其有益的教学效果。

关键词： charge transfer   density functional theory   open subsystem   quantum embedding  

摘要： This perspective considers two theories we recently proposed to perform quantum embedding calculations for chemical systems: domain-separated density functional theory (DS-DFT) and locally coupled open subsystems (LCOS). The development includes both the fundamentals of each theory as well as potential applications, some technical aspects, and related challenges. DS-DFT is suited to study intramolecular effects, where one can apply a high level of theory (based on DFT or wave function theory) to a region of interest inside a molecule or solid and lower level theory elsewhere, with smooth switching between the regions. LCOS, in contrast, is a fragment-based embedding, which offers computational advantages to study intermolecular behavior such as electron hopping, spin-environment interaction, and charge-transfer excitations. However, both theories can exchange roles when appropriate. In addition, these theories allow for control of computational scaling of their algorithms. We explore paths to determine the charge-transfer operator used in LCOS, and suggest an auxiliary energy minimization that can provide a practical estimate to this operator. We also briefly discuss how to implement density fitting techniques in domain separation, and how domain separation can be used for pure wave function-based embedding.

摘要： In this respect, the “Materials Chemistry” Section invites studies on the synthesis and characterization of either inorganic or organic (polymeric) materials, the investigation of structure–property relationships in metal, ceramic and polymer systems, as well as the design, preparation, and characterization of micro- and nano-composites (including hybrid organic-inorganic structures) and their applications in advanced sectors. [...]in terms of publication time, Molecules is among the fastest in the field, with an average of 32 days from submission to first publication. With the improvements in design and synthesis of new materials systems, characterization and analytical techniques, development of new technologies and novel micro- and nano-composite systems, the prospective contribution of materials chemistry research to the overall growth of materials science and technology seems limitless.