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Based on nonequilibrium Greens function method in combination with density functional theory,we study the electronic transport properties of dipyrimidinyl-diphenyl molecules embedded in a carbon atomic chain sandwiched between zigzag graphene nanoribbon and different edge geometries C2 N-h2D electrodes.Compared with the graphene electrodes,the C2N-h2D electrode can cause rectifying and negative differential resistance effects.For C2N-h2D with zigzag edges,a more remarkable negative differential resistance phenomenon appears,whereas armchair-edged C2 N-h2D can give rise to much better rectifying behavior.These results suggest that this system can be potentially useful for designs of logic and memory devices.