CAREER: Probing and Manipulating Electronic and Spin Degrees of Freedom in Paramagnetic Single Molecule Circuits

职业：探测和操纵顺磁单分子电路中的电子和自旋自由度

• 批准号: 2145276
• 负责人: Maria Kamenetska
• 金额: $ 65万
• 依托单位: Trustees of Boston University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-02-01 至 2027-01-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2145276&HistoricalAwards=false
• 关键词: CAREER; Probing; Manipulating; Electronic; Spin

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2).With the support of the Chemical Structure, Dynamics, and Mechanisms A Program in the Division of Chemistry, Dr. Maria Kamenetska of Boston University is investigating the electronic and magnetic properties of single paramagnetic molecules wired into an electric circuit. The use of molecules as switches, transistors, or qubits could enable the development of smaller and more powerful electronic devices than what is currently available. Of particular interest for this application are paramagnetic molecules, which have intrinsic magnetic properties, making them candidates for applications in non-volatile memory and in quantum information science. Maria Kamenetska and her group use an approach based on scanning tunneling microscopy to measure current through a single molecule bound to metal electrodes. These experimental measurements are complemented with computational investigations to elucidate how the chemical environment influences the electronic and magnetic properties of the resulting molecular circuits. Understanding chemical interactions between the electrodes and paramagnetic molecule can improve circuit reliability, control, and functionality, with potential for magnetic sensing and gating in single molecule circuits. Broader impacts focus on training a diverse and quantum-literate workforce at the interface of molecular science, electronics and quantum technology as well as building and improving the curriculum of and mentoring students in the newly-implemented Chemistry and Physics undergraduate major at Boston University.This research aims to identify chemical design principles and nano-manipulation techniques for forming robust single paramagnetic molecule circuits and to investigate their emergent electronic and spin degrees of freedom. Experimental approaches, such as inorganic synthesis and scanning tunneling microscope break junction (STMBJ) single molecule conductance measurements are coupled with density functional theory (DFT) and non-equilibrium green function (NEGF) computational techniques to achieve a comprehensive and iterative study of magnetically-functional single molecule circuits. Three terminal electrical measurements are performed using an electrochemical STM configuration to reveal the effect of metal-molecule chemistry on electronic degrees of freedom of the junction, while STMBJ measurements on ferromagnetic electrodes allow spin-resolved electron transport measurements. DFT calculations support the experimental work and provide further insight into structure-property relationships in metal-molecule junctions. The broader impacts focus on student training at the interface of molecular science, electronics and quantum technology. A newly developed Chemistry and Physics undergraduate major, that aims to promote diversity and inclusion, serves to create of an environment that encourages interdisciplinary science at an early career stage.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该奖项是根据《美国救援计划法》的全部或部分资助（公法117-2）。在化学结构，动力学和机制的支持下，波士顿大学的玛丽亚·卡梅内斯卡（Maria Kamenetska）博士正在调查电气电路中的单个帕克尼科分子的电子和磁性。将分子用作开关，晶体管或量子位的使用可以比当前可用的更小，更强大的电子设备的开发。对于本应用，特别感兴趣的是具有固有磁性特性的顺磁分子，使其成为非易失性记忆和量子信息科学中应用的候选者。 Maria Kamenetska和她的小组使用基于扫描隧道显微镜的方法通过与金属电极结合的单分子测量电流。这些实验测量与计算研究相辅相成，以阐明化学环境如何影响所得分子回路的电子和磁性。了解电极与顺磁分子之间的化学相互作用可以提高电路的可靠性，控制和功能，并具有单分子电路中的磁传感和门控的潜力。更广泛的影响着重于培训分子科学，电子和量子技术的界面上的多样化和量子识别的劳动力，以及在新成立的化学和物理学本科生中建立和改善和改善学生的课程和指导学生的课程，这些研究旨在确定化学设计的摩尔和nano摩尔构造技术，以构建化学设计原理和NANO摩尔型技术。研究他们新兴的电子和自旋自由度。实验方法，例如无机合成和扫描隧道显微镜断裂连接（STMBJ）单分子电导测量测量与密度功能理论（DFT）和非平衡绿色功能（NEGF）计算技术相结合，以实现磁性触发单分解循环的全面研究。使用电化学STM构型进行了三个末端电测量，以揭示金属分子化学对交界器电子自由度的影响，而STMBJ对铁电磁电极的测量允许自旋分辨分辨率电子传输测量值。 DFT计算支持实验工作，并进一步了解金属分子连接中的结构特性关系。在分子科学，电子和量子技术界面上的学生培训上的更广泛影响。旨在促进多样性和包容性的新开发的化学和物理本科生，旨在创造一个在早期职业阶段鼓励跨学科科学的环境。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子和更广泛影响的审查审查标准来通过评估来通过评估来提供支持的。