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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
优先计划QUANTRANS的目标是在物理、化学和工程科学之间建立一个由实验和理论研究小组组成的多学科合作联盟,以应对新兴的分子电子学领域的挑战性任务。为了实现建立完整的分子尺度电荷输运物理图景的主要目标,以及研究和探索单分子作为新的功能器件单元,协同研究必须满足新的质量。特别是,这涉及到专业协调行动,为相关研究小组提供专业的组织基础设施,用于网络的形成和整合,教育和培训,以及国家和国际层面的科学交流和合作。优先计划旨在形成分专题(材料系统)相关研究团队,通过联合实验和理论努力,提高分子的化学键接触几何和构象的重复性,以及对相关量子电子传输机制和机制的理论理解。为了获得协同效应,参与强交互协作的小组必须定义和结合共同的体系/分子、相关的实验和分析技术以及理论方法和途径。这些小组必须定期举行会议,交流国家一级的专门知识,并与来自世界各地的合作伙伴协作,纳入最先进的发展。优先方案中的小组将通过一个活跃的互联网门户网站(www.quanTrans.de),与在国外由PP组织的国际会议上的研究报告一起,推动和领导在研究领域形成一个国际科学网络。
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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