US-Turkey Cooperative Research: Investigation of the Novel Electronic, Stuctural and Dynamical Properties of Cubane and Various Cubane Derivatives

美国-土耳其合作研究：古巴烷及各种古巴烷衍生物的新型电子、结构和动力学特性研究

• 批准号: 9731014
• 负责人: Robert Briber
• 金额: $ 2.83万
• 依托单位: University of Maryland, College Park
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-03-15 至 2002-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9731014&HistoricalAwards=false
• 关键词: US; Turkey; Cooperative; Research; Investigation

Description: This award is for support of a cooperative research by Drs. Taner Yildirim, and Robert Briber, Department of Materials and Nuclear Engineering at the University of Maryland, and Dr. Selim Ciraci, Physics Department at Bilkent University in Ankara, Turkey. They plan to study the solid state physical properties of cubane materials. Cubane (C8H8), an atomic scale cube, is an immensely strained molecule whose 90 degree bond angle challenges classical notions of the sp3 bonding of carbons. Its high heat of formation and density make it an exciting candidate for a new generation of fuels and explosives. Many solid state properties of cubane and its derivatives are poorly understood. The scientists propose to investigate the (a) stability, energetics, and dynamics, (b) effect of pressure on structure and phase transition, (c) electronic structure, and (d) interaction of cubane and its derivatives with various metals, with other molecules, surfaces, and solids (e.g. graphite and C60). The study will involve first principle calculations and molecular dynamics simulations by groups from the Universities of Maryland and Bilkent, and x-ray and neutron scattering measurements performed by the National Institute of Standards and Technology (NIST) scientists. Scope: The U.S. PI is a recent Ph.D. who has established a solid reputation in this research area. He is collaborating with well-established colleagues at NIST and at the University of Maryland, and with a well-respected physicist at Bilkent University. The study will contribute substantially to our understanding of the design and control in strained-molecule engineering, and will benefit continuing attempts to create cubane-based materials with novel properties. The scientific methods used by the US and Turkish sides are complementary in terms of material synthesis, measurement, and theoretical expertise. The scientific collaboration should be mutually beneficial.

产品描述：该奖项是为了支持马里兰州大学材料与核工程系的Taner Yildirim博士和Robert Briber博士以及土耳其安卡拉Bilkent大学物理系的塞利姆Ciraci博士的合作研究。 他们计划研究立方烷材料的固态物理性质。 立方烷（C8H8）是一种原子尺度的立方体，是一种非常紧张的分子，其90度键角挑战了碳的sp3键的经典概念。 它的高生成热和密度使其成为新一代燃料和炸药的令人兴奋的候选者。 立方烷及其衍生物的许多固态性质知之甚少。 科学家们建议研究（a）稳定性、能量学和动力学，（B）压力对结构和相变的影响，（c）电子结构，以及（d）立方烷及其衍生物与各种金属、其他分子、表面和固体（例如石墨和C60）的相互作用。 该研究将涉及马里兰州和Bilkent大学的第一原理计算和分子动力学模拟，以及美国国家标准与技术研究所（NIST）科学家进行的X射线和中子散射测量。 范围：美国主要研究者是一位近期获得博士学位的人。他在这一研究领域建立了良好的声誉。 他正在与NIST和马里兰州大学的资深同事以及Bilkent大学的一位备受尊敬的物理学家合作。 这项研究将大大有助于我们理解的设计和控制的应变分子工程，并将有利于继续尝试创造具有新特性的立方烷基材料。 美国和土耳其方面使用的科学方法在材料合成、测量和理论专业知识方面具有互补性。 科学合作应该是互利的。