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...

报告介绍 报告摘要： 非晶合金具有许多优异的力学、物理和化学性能，良好的应用前景，有望成为新一代的金属材料，因此，非晶合金的形成、结构和性能的研究备受关注，其中，非晶合金的形成机理和塑性变形机理是非晶态物理和材料领域的两个核心科学问题。在快速冷却过程中合金过冷液体的粘度（结构弛豫时间）在数十度的温区内增大十几个数量级，如何解释动力学的急剧变化这一极为异常且又普遍存在的动力学特征是目前凝聚态物理面临的最重要的挑...

报告介绍 报告摘要： In recent years, two-dimensional (2D) or quasi-2D materials have attracted numerous interests for their fascinating properties. It is highly desirable to design new functional 2D materials. A method based on the particle swarm optimization (PSO) algorithm is proposed to design 2D and Q2D materials. With this development, we discover several new functional 2D/Q2D materials: a new 2D semico...

报告介绍 报告摘要： High quality low-dimensional carbon materials, such as carbon nanotube and graphene, is highly desired for both fundamental research and their industrial applications. While their controllable synthesis has been a great challenge due to the extremely large number of combinations of experimental parameters and the lack of understanding of the growth mechanism. Using the first-principles th...

报告介绍 报告摘要： In recent years, research on nucleation and crystallization has revealed alternative pathways to the classical ones known from the textbooks of crystallization. These so called nonclassical pathways allow for a better understanding of so far difficult to understand crystallization processes as observed for example in Biomineralization. In addition, they open up entirely new possibilities ...

报告介绍 报告摘要：电子-分子碰撞过程在天体物理，等离子体物理，惯性约束核聚变，大气物理，和生物物理中有非常重要的运用 [1]。在极性分子的低能电子碰撞实验中，测量小角度的微分截面非常困难，给实验测量带来挑战，难于获得其在低能量端的积分截面。低能电子与生物分子散射形成共振态可引起化学键的断裂，是生物体系辐射损伤的主要原因之一，同时该过程在解离性电子贴附实验中极为重要[2]。然而由于实验分析各反应通道过程比较复杂，该类...

报告介绍 Abstract： Which features make the brain such a powerful and energy-efficient computing machine? Can we reproduce them in the solid state, and if so, what type of computing paradigm would we obtain? I will show that a machine that uses memory to both process and store information, like our brain, and is endowed with intrinsic parallelism and information overhead - namely takes advantage, via its col...