报告介绍 报告摘要： 具有高迁移率的二维材料有望取代硅材料成为新一代电路基本材料, 但要使其兼具信息非易失性记忆功能则需要加入铁性(铁磁, 铁电, 铁弹)，也有望解决硅基内存进一步小型化后棘手的量子隧穿和散热问题。目前的多数铁磁性二维材料居里温度难以达到室温,而二维材料的铁电性和铁弹性在最近几年才开始有相关研究。自2013年预测出第一个二维范德华铁电体以来，报告人通过第一性原理计算已陆续设计出一系列二维铁电/多铁体，大部分...

报告介绍 Abstract： The hydrogen molecule is the smallest neutral chemical entity and a benchmark system of molecular spectroscopy. The comparison between highly accurate measurements of transition frequencies and level energies with quantum calculations including all known phenomena (relativistic, vacuum polarization and self energy) provides a tool to search for physical phenomena in the realm of the unkno...

报告介绍 报告摘要：　　低维尺度上的磁性、铁电及多铁电性质有着重要的应用前景。但是现有条件下，已报道的这类材料仍然非常少见。因此，如何实现低维材料的这类功能性质是一个值得研究的课题。本报告中，我们将介绍课题组在这个方面所取得的一些成果，从磁性、铁电性质的机制出发，成功地从结构上设计了具有这些性质的低维材料。最后，我们还将介绍在这些研究的基础上，成功地设计了二维铁磁铁电材料，首次实现了这个尺度上的多铁电结构。报...

报告介绍 Abstract： 　　In the on-surface chemistry area, an important topic is how the surface serves for reactions. To reveal this aspect, Glaser coupling, decarboxylation, amine-coordination, Ullman coupling, domino-reaction, C-C or C-H coupling, carbene-reaction and sigma bond metathesis  were systematically investigated at various metal surfaces, which prove that the surface acts not only as a supp...

报告介绍 Abstract： Emergent phenomena in oxide heterostructures such as interface charge transfer, two dimensional electron gas and ferromagnetism between two non-magnetic materials, are induced by the dedicated coupling between spin, orbital, charge and lattice degrees of freedom. Developing strategies to engineer these intimate couplings in oxide heterostructures is crucial to achieve new phenomena and to...

报告介绍 报告摘要： 借助纳米科学和技术的发展和进步，以纳米体系的电子调制为理论基础，通过在纳米层次对催化剂的组成、结构和形貌，以及电子态的调控，实现高效催化剂的理性设计和精准制备，以及真实催化反应条件下对催化剂和催化作用的高分辨和动态表征是未来催化研究发展的重要方向。报告将结合提出的“纳米限域催化”的新概念，结合纳米空间、金属界面和氧化物晶格的限域特性，以及对催化性能的影响等实例对纳米催化研究涉及...

报告介绍 报告摘要：我国是稀土资源大国，其开发利用具有重要战略意义。其中，稀土二氧化铈材料被广泛应用于汽车尾气净化，但人们对纳米二氧化铈材料的催化性能构效关系，以及稀土元素特有的高度局域f轨道的作用的认识还非常有限，只是笼统的归纳出其在催化过程中可以起到类似“电子储存器”的作用。为深入理解其催化性能，我们采用引入在位库仑作用校正的密度泛函理论计算（DFT+U），系统研究了二氧化铈多种表面结构、氧缺陷、金属...

报告介绍 Abstract：　　Despite extensive studies of transition-metal particles (Pt, Au, etc) supported on cerium oxides, CeO2, surfaces, e.g., CeO2(111), fundamental issues such as the role of the TM-O interactions in the oxidation state change of the Ce atoms are still in debate. In this talk, I will revise and discuss few contributions from our group based on density functional theory calculations for TM c...

报告介绍 Abstract： 　　Rationally designed nanomaterials hold great promise as next-generation drug delivery systems. Over the years we have developed skillsets in nanoparticle design, characterization and understanding of the relationship between nanoparticle structure and delivery performance. We have prepared engineered nanoparticles with adjustable compositions and structures for various drug delivery a...

报告介绍  Abstract： The invention of water splitting and oxygen release by early photosynthetic organisms was the cornerstone for the development of our planet´s oxygen-rich atmosphere and the protective ozone layer in the stratosphere, which was essential for the development of higher life on earth. Photosynthesis stores the sun´s energy via CO2 reduction in form of energy-rich organic com...

报告介绍 Abstract：　　The 2-azaallyl anion is one of the earliest known intermediates in synthetic organic chemistry. The past decade has witnessed significant renewed interest in semi-stabilized 2-azaallyl anions as intermediates toward the synthesis of alkaloid natural products and pharmaceutically-relevant scaffolds. Traditionally, generation of 2-azaallyl anions requires deprotonation of the conjugate a...

报告介绍 Abstract： During the last two decades, due to the rapid advancements in heteroepitaxial growth techniques, it has become feasible to reduce the oxide film thickness to nanometer scale while retaining the original ferroic order. These advances enable oxide-based electronic devices with superior functionalities. In such ultrathin epitaxial systems, the interface/surface structure becomes crucial in d...

报告介绍 Abstract： Analytical Ultracentrifugation (AUC)is a powerful technique for polymer and colloid analytics invented about 100 years ago by The Svedberg at the university of Uppsala, Sweden. AUC has experimentally supported important scientific breakthroughs like the proof that polymers are macromolecules or the experimental proof of the DNA double helix. The power of AUC lies in its fractionation of t...

报告介绍 Abstract：Biominerals are remarkable materials with complex and often hierarchical structures (see image of sea urchin spine below) and superior physical properties compared to man made materials made at ambient conditions in aqueous environment. Biominerals are organic-inorganic hybrid materials and the crystallization of the inorganic mineral is highly controlled by organic – usually polymer...

报告介绍 报告摘要： As a promising non-noble-metal material for hydrogen evolution reaction (HER), the MoS2 has received significant research interests. The pristine MoS2 is known to contain a catalytically inert basal plane. Activating the basal planes of MoS2 via a phase structure engineering strategy could further improve its catalytic activity in the HER activity. However, the fundamental mechanism about...

报告介绍 Abstract： Mechanochemical transduction processes, that is, cascades of events that translate macroscopic forces into chemical reactions, are common in all living organisms. These, in turn, elicit electrical signals, open ion channels, promote cell growth, and enable many other vital functions. It inspired the scientists to develop design principles for new materials that translate mechanical s...