Graphdiyne: a promising thermoelectric material with high figure of merit. (arXiv:1502.01137v1 [cond-mat.mes-hall]) By L. Sun, P. H. Jiang, H. J. Liu, D. D. Fan, J. H. Liang, J. Wei, L. Cheng, J. Zhang, J. Shi As a new carbon allotrope, the recently fabricated graphdiyne has attached much attention due to its potential applications in the future electronic and optoelectronic devices. Here we demonstrate by multiscale computations that, unlike graphene, graphdiyne simultaneously possess high electrical conductivity and low thermal conductivity, which makes it an ideal system to realize the