Fundamental principles of non-linear single molecular devices as building blocks for future computing technologies

非线性单分子器件作为未来计算技术构建模块的基本原理

• 批准号: 0650028
• 负责人: Ivan Oleynik
• 金额: --
• 依托单位: University of South Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-10-01 至 2009-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0650028&HistoricalAwards=false
• 关键词: Fundamental; principles; non; linear; single

Fundamental principles of non-linear single molecular devices as building blocks for futurecomputing technologiesThis SGER proposal aims at exploring theoretical foundations for new types ofnanoelectronic single molecular devices. The major driving force for this effort is the realizationof unique electronic properties of single organic molecules that can be exploited to implementnovel elements of electronic circuitry to be used as an alternative for traditional, silicon basedCMOS technology. The main goal of this proposal is to develop computational tools and applythem to perform device modeling and intelligent design of molecular architectures based on firstprinciplesunderstanding of electron transport. A series of unique molecules that exhibit specificelectronic functions such as molecular diodes, transistors and switches will be explored. Chargetransport through single molecules and molecular arrays will be investigated. The fundamentalunderstanding of electrical characteristics of such molecular building blocks will be used toexplore the intelligent design of molecular architectures. Simulation and prediction of electricalbehavior of molecular nanoelectronic components based on their atomic and electronicproperties will be ultimately extended to achieve the virtual integrated prototyping of moleculardevices optimization of current-voltage characteristics of specific electronic devices bychoosing the most appropriate chemical composition that has desirable electronic properties.The proposed research program addresses the goal of NSF EMT program to explore newcapabilities for future computing technologies, thus allowing to extend the lifespan of Moore'slaw beyond the lifetime of silicon technology.Broader Impact.The broader impact of this SGER effort will be achieved by educating science andengineering graduates who will be the main driving force for future advances in futurecomputing technologies. Students involved in this project will learn a broad range of knowledgein molecular engineering and first-principles device modeling. This project will serve to attractbrilliant minds, to train and promote young talented students with the aim to reinforce the scienceand engineering workforce.In addition to educational activities, this synergistic effort in theory/simulation will advanceour understanding the fundamental mechanisms of electron transport in molecular nanostructuresand to establish predictive structure-property relationships between molecular structure andelectrical device characteristics. This knowledge base is important for practical implementationof the next generation of computing hardware based on molecular components aimed atachieving lightweight, flexible circuits with low energy consumption and high densityinformation storage.

非线性单分子器件作为未来计算技术构建模块的基本原理本 SGER 提案旨在探索新型纳米电子单分子器件的理论基础。这项工作的主要推动力是实现单一有机分子独特的电子特性，可利用这些分子来实现电子电路的新颖元件，以替代传统的硅基 CMOS 技术。该提案的主要目标是开发计算工具，并将其应用于基于电子传输第一原理理解的器件建模和分子结构的智能设计。将探索一系列具有特定电子功能的独特分子，例如分子二极管、晶体管和开关。将研究通过单分子和分子阵列的电荷传输。对此类分子构件的电特性的基本了解将用于探索分子结构的智能设计。基于原子和电子特性的分子纳米电子元件的电学行为的模拟和预测将最终扩展到实现分子器件的虚拟集成原型设计，通过选择具有所需电子特性的最合适的化学成分来优化特定电子器件的电流-电压特性。所提出的研究计划解决了 NSF EMT 计划探索的目标 未来计算技术的新功能，从而可以将摩尔定律的寿命延长到硅技术的寿命之外。更广泛的影响。这项 SGER 工作的更广泛影响将通过教育科学和工程毕业生来实现，他们将成为未来计算技术未来进步的主要驱动力。参与该项目的学生将学习分子工程和第一原理器件建模方面的广泛知识。该项目将吸引优秀人才，培养和提拔年轻有才华的学生，以增强科学和工程人才队伍的实力。除了教育活动外，理论/模拟方面的协同努力将促进我们对分子纳米结构中电子传输的基本机制的理解，并建立分子结构和电气器件特性之间的预测结构-性能关系。该知识库对于基于分子组件的下一代计算硬件的实际实现非常重要，该计算硬件旨在实现具有低能耗和高密度信息存储的轻质、柔性电路。