Towards Design Rules for Covalent Nanostructures on Metal Surfaces

被引：62

作者：

Bjork, Jonas ^{[1
]}

Hanke, Felix ^{[2
]}

机构：

[1] Linkoping Univ, Dept Phys Chem & Biol, IFM, S-58183 Linkoping, Sweden

[2] Accelrys, Cambridge CB4 0WN, England

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2014年 / 20卷 / 04期

关键词：

covalent assembly; density functional calculations; nanomaterials; surface chemistry; transition-state theory; FINDING SADDLE-POINTS; ELASTIC BAND METHOD; GRAPHENE; POLYMERIZATION; PORPHYRINS; ADSORPTION; MOBILITY;

D O I：

10.1002/chem.201303559

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The covalent molecular assembly on metal surfaces is explored, outlining the different types of applicable reactions. Density functional calculations for on-surface reactions are shown to yield valuable insights into specific reaction mechanisms and trends across the periodic table. Finally, it is shown how design rules could be derived for nanostructures on metal surfaces.

引用

页码：928 / 934

页数：7

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