在石墨纳米结构中吸附的位置
1Contribution from the Department of Chemistry, University of Massachusetts, Amherst, MA 01003, USA.
Journal of the American Chemical Society
|October 8, 2004
概括
石墨纳米结构中的储存与边缘吸附有关. 第一个原则的计算显示,分子气可以很容易地在齐克扎克的边缘上吸附,形成单或双化结构.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 纳米技术纳米技术
背景情况:
- 石墨纳米结构表现出高储能能力.
- 这种容量可能与边缘的吸附有关.
研究的目的:
- 在石墨的曲边缘上研究化学吸收的结构和能量.
- 检查单和双化边缘结构.
主要方法:
- 使用第一原则计算.
- 在石墨边缘分析分子的吸附过程.
主要成果:
- 分子在低激活障碍的石墨边缘上分离吸附.
- 单一和双重化结构形成.
- 提出了一种用于吸附的位置的新型模型.
结论:
- 在石墨的曲边缘上吸附气在能量上是有利的.
- 这些发现支持边缘在储存中的作用.
- 拟议的模型为与纳米结构相互作用提供了新的见解.
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