Cover:  

Along-standing debate in transport modeling of nano junctions has eventually come to the end. The cover illustrates a recently confirmed atomic model of the famous Au-1,4-Benzenedithiol (BDT)-Au molecular junction where the H atom of the thiol group remains attached after the molecule-leadcontact formed. A Non-equilibrium Green’s Function combined with density functional theory (NEGF-DFT) calculation well reproduces the experimental values with this model, demonstrating the reliability of the theory again and standing out the importance of interfacial geometry in transport modeling. For more details, please refer to article“Correlation of interfacial bondingmechanism and equilibrium conductance of molecular junctions” by Zhan-Yu Ning, Jing-Si Qiao, Wei Ji, and Hong Guo, pp 780-788. [Photo credits: Jing-Si Qiao and Wei Ji, Renmin University of China]

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*corresponding author(s).