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Coordination action in the Priority Program 1243

Coordination action in the Priority Program 1243
优先计划 1243 中的协调行动
批准号:
25002279
负责人:
Professor Dr. Thomas Frauenheim
金额:
$0.0万
依托单位国家:
德国
项目类别:
Priority Programmes
财政年份:
2006
资助国家:
德国
项目状态:
已结题
起止时间:
2005-12-31 至 2012-12-31

项目摘要

项目成果

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中文摘要
翻译
QUANTRANS优先项目旨在在物理、化学和工程科学之间建立一个多学科的实验和理论研究小组合作联盟,以解决新兴的分子电子学领域的挑战性任务。为了实现开发分子尺度电荷输运的完整物理图景和研究和探索单分子作为新的功能器件单元的主要目标,协作研究必须达到一个新的质量。这尤其涉及一项专业协调行动,为有关的研究小组提供专业的组织基础结构,以便在国家和国际一级建立和整合网络、进行教育和培训以及进行科学交流和合作。本项目旨在组建子课题(材料系统)相关的研究团队,通过实验和理论的结合,提高化学键接触几何形状和分子构象的可重复性,以及对相关量子电子输运机制和机制的理论认识。为了获得协同效应,参与强互动协作的团体必须定义和结合共同的系统/分子,相关的实验和分析技术,以及理论方法和方法。这些小组必须定期举行会议,以便在国家一级交流专门知识,它们必须与来自世界各地的伙伴合作,将最先进的发展纳入其中。在PP组织的国外国际会议上以及通过活跃的互联网门户网站(www.quantrans.de)展示研究成果的同时,优先计划中的小组将推动和领导研究领域的国际科学网络的形成。
英文摘要
The Priority Program QUANTRANS aims to form a multidisciplinary collaborative consortium of experimental and theoretical research groups at the interface between physics, chemistry and engineering science to address challenging tasks of the new emerging field of Molecular Electronics. In order to achieve the main goal for developing a full physical picture of molecular-scale charge transport and to study and explore single molecules as new functional device units collaborative research has to meet a new quality. In particular, this concerns a professional coordinative action to provide the involved research groups a professional organizational infrastructure for network formation and integration, for education and training and for scientific exchange and collaboration on the national and international level.The Priority Program aims to form sub-topical (materials system) related research teams which by joined experimental and theoretical effort improve reproducibility in chemical bonding contact geometries and conformation of molecules and theoretical understanding of related quantum electronic transport regimes and mechanisms. In order to gain synergy, the participating groups in strongly interactive collaboration have to define and combine common systems/molecules, related experimental and analyzing techniques, and theoretical methodologies and approaches. The groups have to meet regularly for exchange of expertise on the national level and they have to incorporate the most advanced developments in collaboration with partners from all over the world. Together with presentation of research at international conferences abroad and organized by the PP and via an active internet portal (www.quantrans.de) the groups in the Priority Program will push and lead the formation of an international scientific network in the field of research.
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会议论文
Atomistic Design of Thermal and Electrical Transport in Materials with Dislocations: From High Power Electronics to Thermoelectrics
Defect calculations in Ga-based semiconductors using optimal hybrid functionals
Charge transport modelling in silicon ultra-scaled devices with native oxide (SINOXI)
Multi-scale approach for prediction of electrical properties of carbon nanotube reinforced polymers
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