Electronic Structure Calculation of Adsorbate Gas Molecules on an Armchair Graphene Nanoribbon

Figure 1

(colour online). (a) The unit cell for 6-AGNR with 36 carbon atoms. (b) The position and orientation of CO molecule on 6-AGNR. (c) The position and orientation of CO₂ molecule on 6-AGNR. (d) The position and orientation of NO molecule on 6-AGNR. (e) The position and orientation of NH₃ molecule on 6-AGNR.

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(b)

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