Theoretical Analysis of N-carbophenes: a novel class of 2D hydrocarbons

部落学院和大学计划(TCUP)的一个目标是提高为国家土著学生服务的特定高等教育机构的科学、技术、工程和数学(STEM)教学和研究能力。扩大这些机构的研究能力扩大了学生在STEM领域追求具有挑战性、有回报的职业的机会，提供了可能与当地相关的领域的研究性学习，并鼓励教师群体将目光投向传统课堂之外的智力和专业成长。这个项目与这一目标直接一致，而且可能被证明是其他小型社区大学类似参与的典范。夏威夷土著哲学的原则之一是aloha‘aina(尊重土地)。现代表达阿罗哈那的一部分来自于对地球的管理。在一定程度上，该项目试图通过减少导致全球变暖的气体(二氧化碳和甲烷)的排放来展示这种管理能力。该项目旨在使用最近提出的一类材料：[N]-碳苯(Carbophenes)，为更好地捕获二氧化碳和甲烷的设备做出贡献。为了确定碳纤维吸收二氧化碳和甲烷的有效性，提出者计划将碳纤维的孔道结构与其他被提议的材料进行比较。除了温室气体吸收，这项工作还将寻求确定碳水化合物的其他物理性质，以便它们能够可靠地用于设备。了解电子结构可以显示(原始的和功能化的)碳水化合物在运行时如何与设备的其余部分相互作用。了解机械稳定性有助于确定在不破坏材料的情况下可以对其施加何种力。了解热稳定性有助于了解用这种材料制造的设备可以运行的温度范围。这项裁决反映了NSF的法定使命，通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为是值得支持的。

A goal of the Tribal Colleges and Universities Program (TCUP) is to increase the science, technology, engineering, and mathematics (STEM) instructional and research capacities of specific institutions of higher education that serve the Nation's indigenous students. Expanding the research capacity at these institutions expands the opportunities for students to pursue challenging, rewarding careers in STEM fields, provides for research studies in areas that may be locally relevant and encourages a faculty community to look beyond the traditional classroom for intellectual and professional growth. This project aligns directly with that goal and moreover may prove to be a model for similar engagement at other small community colleges.One of the tenets of Native Hawaiian philosophy is aloha 'aina (respect for the land). Part of a modern expression of aloha 'aina comes in the form of stewardship of the Earth. In part, the project seeks to demonstrate this stewardship by reducing the emission of gasses responsible for global warming (CO2 and CH4). This project intends to contribute to better devices to capture CO2 and CH4 using a recently proposed class of materials: [N]-carbophenes (CARBS). To determine the effectiveness of CARBS for absorption of CO2 and CH4, the proposer plans to compare CARBS port structures with other proposed materials. In addition to greenhouse gas absorption, the work will seek to determine other physical properties of CARBS so they can be reliably used in devices. Understanding the electronic structure can show how (pristine and functionalized) CARBS will interact with the rest of the device when in operation. Understanding the mechanical stability can help determine what forces can be applied to it without the material breaking. Knowing the thermal stability helps know the temperature range at which a device made with this material can operate. The proposer plans to examine computationally, using at least two complementary methods, the electronic structure, mechanical stability, and thermal stability of CARBS.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.