[NP_O_10] The critical effect of metal atoms in mechanically interlocked supramolecular devices and the prevention using graphene.pdf

[NP_O_10] The critical effect of metal atoms in mechanically interlocked supramolecular devices and the prevention using graphene.pdf

썸네일 EDISON Test 애게서 업로드 하였습니다. 18. 5. 11 오후 1:19
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As a good candidate of molecular electronics, bistable rotaxanes have great deal for the application of molecular-switching devices showing a very active electrical switching behavior. However, we find that even a single metal atom penetrated into this molecular system can destroy the switching nature. We analyze the changes of electronic and transmission properties with and without the penetrated atom by using the first-principles calculations with density functional theory and non-equilibrium Green’s function (NEGF). Finally, we suggest that a layer of graphene attached on the metal electrode can prevent the penetration of metal particles without effecting the switching nature. This result will give the definitive insight for the rotaxane-based molecular-switch.
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20. 5. 20 오후 4:20
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As a good candidate of molecular electronics, bistable rotaxanes have great deal for the application of molecular-switching devices showing a very active electrical switching behavior. However, we find that even a single metal atom penetrated into this molecular system can destroy the switching nature. We analyze the changes of electronic and transmission properties with and without the penetrated atom by using the first-principles calculations with density functional theory and non-equilibrium Green’s function (NEGF). Finally, we suggest that a layer of graphene attached on the metal electrode can prevent the penetration of metal particles without effecting the switching nature. This result will give the definitive insight for the rotaxane-based molecular-switch.
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