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Ariel1983银虫 (小有名气)
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JACS新文章：Bifunctional Anchors Connecting Carbon Nanotubes to Metal Electrodes
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New concept of connecting CNT/graphene to metal electrodes Learnt from "Bifunctional Anchors Connecting Carbon Nanotubes to Metal Electrodes for Improved Nanoelectronics", J. Am. Chem. Soc., 129 (32), 9834 -9835, 2007. 10.1021/ja061443r S0002-7863(06)01443-0 Integrating CNT into electronic circuits has been widely investigated. However, two outstanding obstacles impede the existing strategy: The carbon nanotubes or graphene sheet may move on the contact surface, leading to device unreliability; The contact resistance between the metal contact and a carbon nanotube or graphene sheet can be too high for optimum performance. To improve both mechanical and conductive properties, the authors proposed a way of connecting the metal contact to the CNTs via bifunctional molecular anchors. Several functional groups ( -SH, -OH, -NH2, -COOH, -CONH2, and -SO3H) were tested by quantum mechanics (QM using the PBE flavor of density functional theory) in the following aspects: The structure of the CNT/graphene-anchor-metal interface; Interaction energies between anchor and CNT/graphene and between anchor and metal; The contact resistance between the CNT/graphene and metal for various anchors. Results show that: The (-N-) anchor and the conjugated anchors [(-COO-) and (-CON-)] have the best linkage strengths. The contact resistance is 60 times lower for the CON anchors and 40 times lower for COO anchors. This work may also be helpful for the design of Pt/C catalyst in fuel cell systems. |
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2楼2007-08-28 22:52:53