Thermo-controllable self-assembled structures of single-layer 4, 4″-diamino-p-terphenyl molecules on Au (110)<sup>

Thermo-controllable self-assembled structures of single-layer 4, 4″-diamino-p-terphenyl molecules on Au (110)

Ren Junhai^¹, Bao De-Liang^¹, Dong Li^¹, Gao Lei^¹, Wu Rongting^¹, Yan Linghao^¹, Wang Aiwei^¹, Yan Jiahao^¹, Wang Yeliang^{¹, ²}, Du Shi-Xuan^{¹, ², †}, Huan Qing^{¹, ², ‡}, Gao Hong-Jun^{¹, ²}

(color online) The reaction path of dehydrogenation for the DAT molecules in (1 × 3) and (1 × 5) reconstructed channels. The structures of initial states (IS), intermediate states (TS), and final states (FS) for the dehydrogenation of DAT molecules in (1 × 3) and (1 × 5) reconstructed channels are shown in panels (a) and (c). (b) The energy profile during the reactions paths. Red lines represent the barrier in path in panel (a), and the black lines represent the barrier in path in panel (c).