Xiaohui Liu, Yangyang Hu, Lu Han, Yuqi Dong, Munir Ur Rehman, Yan Shang, Zhaodi Yang, Ya Wang, Lei Pei, Hong Yu, Guiling Zhang
Encouraged by the successful fabrication of C60-GNR (GNR = graphene nanoribbon) single-molecule transistors in experiments, four Fe-containing derived double-layered devices of Fe@C60-GNR are designed by employing different electrode linkages and their transport properties are investigated by using density functional theory (DFT) and nonequilibrium Green's function (NEGF) methods. Regardless of electrode connection, all devices give rise to a smaller negative differential resistance (NDR) peak at V=0.2 and a higher peak at 1...
January 23, 2024: Chemistry: a European Journal