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NSF-DFG Confine: Spin-Probe-Enabled Sensing of Fluids in Confined Geometries and Interfaces

NSF-DFG Confine：利用自旋探针对受限几何形状和界面中的流体进行传感

基本信息

批准号：
2223461
负责人：
Carlos Meriles
金额：
$ 60万
依托单位：
CUNY City College
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2022
资助国家：
美国
起止时间：
2022-10-01 至 2025-09-30
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2223461&HistoricalAwards=false
关键词：
NSF DFG Confine Spin Probe

项目摘要

With support from the Chemical Measurement and Imaging Program (CMI) in the Division of Chemistry, Carlos Meriles of CUNY City College and Nicolas Giovambattista of CUNY Brooklyn College are using atomic defects near the surface of a host crystal as nanoscale probes to characterize the structure and motion of water molecules confined to extremely small spaces (at the nanometer scale). Strong confinement modifies water in ways that are central to technological applications, but the small sample dimensions and the heterogeneities of the confining surfaces makes it challenging for experimentalists to provide detailed information on the molecular behavior at the nanoscale. To mitigate these limitations, Dr. Meriles and his students are developing a sensing approach based on individual point defects in diamond that can serve as a detector of small amounts of liquids in general, and water, in particular. Dr. Giovambattista and his students are using computer simulations and theoretical modeling to help interpret the signals that come from these point-defect-aided measurements. Activities also include the exchange of graduates and postdocs between the US and collaborators at the University of Stuttgart in Germany, an initiative aimed at simultaneously enriching the professional training and networking opportunities of all participating students. Enabling this research program is the so-called nitrogen-vacancy (NV) center in diamond, a paramagnetic defect whose charge and spin states can be prepared and readout by all-optical means. The overarching goals revolve around two research thrusts: (i) The first one capitalizes on novel NV-based magnetic resonance spectroscopy methods to investigate water diffusion under variable confinement and surface hydrophobicity within ad-hoc nanostructures produced via 2D-material engineering; also part of this effort is the development of alternative sensing strategies adapted to heavy water, an area where activities include both experiments and path-integral molecular dynamics simulations. (ii) The second research thrust zeroes in on the use of external magnetic gradients, here leveraged to non-invasively probe molecular diffusion and image surface-induced order in confined water. Of special interest is the investigation of hydration at boundaries separating hydrophobic and hydrophilic sections of engineered substrates based on 2D materials. The results derived from this effort may prove relevant to various open problems of fundamental and practical importance, such as the interplay between nanoscale confinement and chemical reactivity, or the impact of confined water in biological processes such as ion flow in cell membranes.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.

在化学系化学测量和成像项目（CMI）的支持下，纽约市立大学城市学院的卡洛斯梅里尔斯和纽约市立大学布鲁克林学院的尼古拉斯乔万巴蒂斯塔正在使用宿主晶体表面附近的原子缺陷作为纳米级探针来表征限制在极小空间（纳米尺度）内的水分子的结构和运动。强约束以技术应用的核心方式改变水，但是小样品尺寸和约束表面的不均匀性使得实验人员难以提供纳米级分子行为的详细信息。为了减轻这些限制，Meriles博士和他的学生正在开发一种基于钻石中单个点缺陷的传感方法，该方法可以作为一般少量液体的检测器，特别是水。Giovambattista博士和他的学生正在使用计算机模拟和理论建模来帮助解释来自这些点缺陷辅助测量的信号。活动还包括美国与德国斯图加特大学合作者之间的毕业生和博士后交流，这一举措旨在同时丰富所有参与学生的专业培训和网络机会。使这项研究计划成为可能的是金刚石中所谓的氮空位（NV）中心，这是一种顺磁性缺陷，其电荷和自旋状态可以通过全光学手段制备和读出。总体目标围绕着两个研究方向：（i）第一个是利用新型的基于NV的磁共振光谱方法，研究通过2D材料工程产生的自组织纳米结构中可变限制和表面疏水性下的水扩散;该努力的另一部分是开发适用于重水的替代感测策略，该领域的活动包括实验和路径积分分子动力学模拟。(ii)第二项研究致力于使用外部磁梯度，在这里利用非侵入性探测分子扩散和图像表面诱导的秩序在承压水中。特别感兴趣的是研究基于2D材料的工程基底的疏水部分和亲水部分之间的边界处的水合作用。从这项工作中得出的结果可能证明与各种具有基础和实际重要性的开放问题有关，例如纳米级限制和化学反应性之间的相互作用，该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的智力价值和更广泛的影响审查进行评估来支持的搜索.