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HKUST-1 as a Heterogeneous Catalyst for the Synthesis of Vanillin
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金属炭:朝着有希望的储存金属有机框架的方向发展
Abhishek K Singh1, Arta Sadrzadeh, Boris I Yakobson
1Department of Mechanical Engineering and Materials Science, and The Richard E. Smalley Institute for Nanoscale Science and Technology, Rice University, Houston, Texas 77005, USA.
Journal of the American Chemical Society
|September 24, 2010
概括
金属碳酸具有很高的储能力,每种过渡金属原子可以结合多达5个H2分子. 扫和在可逆吸附方面表现最佳,可储存超过8%的重量.
科学领域:
- 材料科学 材料科学 材料科学
- 计算化学计算化学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 储存对于清洁能源应用至关重要.
- 过渡金属装饰材料面临诸如聚合等挑战.
- 金属碳烯呈现出一种新的结构平台.
研究的目的:
- 为了研究金属碳烯的储能能力.
- 为了确定吸附的最佳过渡金属.
- 探索金属碳酸在储存的金属有机框架中的潜力.
主要方法:
- 使用了第一原则计算.
- 模拟了结合能量和吸收.
- 分析了金属碳化合物结构及其框架形成潜力.
主要成果:
- 金属碳酸具有很高的储能力,每种过渡金属可以结合多达5个H2分子.
- 约0.3 eV/H的平均结合能处于可逆吸附范围之内.
- 和在金属碳集群上显示出最佳的储存 (~8重 %).
- 金属碳烯避免了在其他过渡金属基材料中看到的聚合问题.
结论:
- 金属碳烯是用于高容量储存的有希望的材料.
- 子内的过渡金属的内在性质可以防止聚合.
- 将其纳入金属有机框架,可以通过库巴斯相互作用和物理吸附来增强吸附.
相关概念视频
01:23Properties of Organometallic Compounds
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
02:17Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...