[1] J. D. Meindl, Q. Chen, J. A. Davis, “Limits on Silicon Nanoelectronics for Terascale Integration,” Science, 293, 2044–2049, 2001. doi:10.1126/science.293.5537.2044
[2] C. Joachim, J. K. Gimzewski, A. Aviram, “Electronics Using Hybrid-Molecular and Mono-Molecular Devices,” Nature, 408, 541–548, 2000. doi:10.1038/35046000
[3] L. Lafferentz et al., “Conductance of a Single Conjugated Polymer as a Continuous Function of Its Length,” Science, 323, 1193–1197, 2009. doi:10.1126/science.1168255
[4] Y. Li, Z. Tan, Y. Zhang, “Recent Advances in Flexible Perovskite Solar Cells: Fabrication and Applications,” Adv. Mater., 35, 2209088, 2023.
[5] C. Jia, X. Guo, “Molecule-Electrode Interfaces in Molecular Electronic Devices,” Chem. Soc. Rev., 42, 5642–5660, 2013. doi:10.1039/c3cs35527f
[6] C. M. Goringe, D. R. Bowler, E. Hernández, “Tight-Binding Modelling of Materials,” Rep. Prog. Phys., 60, 1447–1512, 1997. doi:10.1088/0034-4885/60/12/001
[7] S. K. Maiti, “Quantum Transport through Mesoscopic Systems: Effect of Interactions, Disorder, and Magnetic Fields,” arXiv:0909.2024, 2009.
[8] O. Adak, R. Korytár, A. Y. Joe, F. Evers, L. Venkataraman, “Breakdown of Interference Rules in Azulene, a Non-Alternant Hydrocarbon,” arXiv:1504.00242, 2015.
[9] M. Brandbyge et al., “Density-Functional Method for Nonequilibrium Electron Transport,” Phys. Rev. B, 65, 165401, 2002. doi:10.1103/PhysRevB.65.165401
[10] T. Zelovich, L. Kronik, O. Hod, “State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions,” J. Chem. Theory Comput., 11, 4861–4869, 2015. doi:10.1021/acs.jctc.5b00612
[11] J. Liu, L. Qiu, S. Shao, “Recent Advances in Organic Thermoelectric Materials and Devices,” J. Mater. Chem. C, 9, 16143–16161, 2021. doi:10.1039/D1TC04038C
[12] K. Kim, T. H. Lee, E. J. G. Santos, P. S. Jo, A. Salleo, Y. Nishi, Z. Bao, “Structural and Electrical Investigation of Solution-Processed Bottom-Gate Thin-Film Transistors Based on Layered Transition Metal Dichalcogenides,” ACS Nano, 9, 5922–5933, 2015. doi:10.1021/acsnano.5b00581
[13] M. A. Malik, M. Afzaal, P. O’Brien, “Precursor Chemistry for Deposition of Group 12 and 16 Chalcogenides,” J. Mater. Chem., 21, 12358–12362, 2011.
[14] H. He, R. Pandey, I. Boustani, S. P. Karna, “First-Principles Study of the Electronic Structure of One-Dimensional Boron Nanotubes,” arXiv:0809.2238, 2008.
[15] D. H. Kim, T. Kim, “Spin-Dependent Transport in Ferromagnetic Graphene Junctions,” J. Korean Phys. Soc., 66, 1499–1503, 2015.
[16] S. Datta, “Nanoscale Device Modeling: The Green’s Function Method,” Superlattices Microstruct., 28, 253–278, 2000. doi:10.1006/spmi.2000.0920
[17] T. Markussen, R. Rurali, M. Brandbyge, “Electronic Transport through Si Nanowires: Role of Bulk and Surface Disorder,” Phys. Rev. B, 74, 245407, 2006. doi:10.1103/PhysRevB.74.245313
[18] T. Ozaki, K. Nishio, H. Kino, “Efficient Implementation of the Nonequilibrium Green Function Method for Electronic Transport Calculations,” Phys. Rev. B, 81, 035116, 2010.
[19] I.-T. Lu, J. Park, J.-J. Zhou, M. Bernardi, “Ab Initio Electron-Phonon Interactions for Excited Carrier Dynamics and Transport in Semiconductors,” Comput. Mater., 6, 17, 2020.
[20] M. J. van Setten, F. Weigend, F. Evers, “The GW-Method for Quantum Chemistry Applications: Theory and Implementation,” J. Chem. Theory Comput., 9, 232–246, 2013. doi:10.1021/ct300648t
[21] C. Jin, M. Strange, T. Markussen, G. C. Solomon, K. S. Thygesen, “Quantum Interference Effects in Molecular Junctions: Combining Wave-Function Analysis with Nonequilibrium Green’s Function Transport Calculations,” J. Chem. Phys., 139, 184307, 2013. doi:10.1063/1.4829520
[22] T. D. Crawford, H. F. Schaefer III, “An Introduction to Coupled Cluster Theory for Computational Chemists,” J. Chem. Phys., 104, 6259–6278, 1996.
[23] G. Taubmann, “A Simple Introduction to Particle Physics Part II,” J. Chem. Educ., 69, 96–100, 1992. doi:10.1021/ed069p96
[24] L. Chen, T. Hansen, I. Franco, “Atomic Scale Design Principles for Single-Molecule Switches,” J. Phys. Chem. C, 118, 20009–20015, 2014. doi:10.1021/jp505771f