| First-principles based matrix Green's function approach to molecular electronic devices: general formalism Y Xue, S Datta, MA Ratner Chemical Physics 281 (2-3), 151-170, 2002 | 931 | 2002 |
| Charge transfer and “band lineup” in molecular electronic devices: A chemical and numerical interpretation Y Xue, S Datta, MA Ratner The Journal of Chemical Physics 115 (9), 4292-4299, 2001 | 636 | 2001 |
| Microscopic study of electrical transport through individual molecules with metallic contacts. I. Band lineup, voltage drop, and high-field transport Y Xue, MA Ratner Physical Review B 68 (11), 115406, 2003 | 489 | 2003 |
| Negative differential resistance in the scanning-tunneling spectroscopy of organic molecules Y Xue, S Datta, S Hong, R Reifenberger, JI Henderson, CP Kubiak Physical Review B 59 (12), R7852, 1999 | 355 | 1999 |
| Microscopic study of electrical transport through individual molecules with metallic contacts. II. Effect of the interface structure Y Xue, MA Ratner Physical Review B 68 (11), 115407, 2003 | 210 | 2003 |
| End group effect on electrical transport through individual molecules: A microscopic study Y Xue, MA Ratner Physical Review B 69 (8), 085403, 2004 | 170 | 2004 |
| Coupling of carbon nanotubes to metallic contacts MP Anantram, S Datta, Y Xue Physical review B 61 (20), 14219, 2000 | 137 | 2000 |
| Fermi-level alignment at metal-carbon nanotube interfaces: application to scanning tunneling spectroscopy Y Xue, S Datta Physical Review Letters 83 (23), 4844, 1999 | 121 | 1999 |
| Current-voltage characteristics through a single light-sensitive molecule C Zhang, Y He, HP Cheng, Y Xue, MA Ratner, XG Zhang, P Krstic Physical Review B—Condensed Matter and Materials Physics 73 (12), 125445, 2006 | 120 | 2006 |
| Theoretical principles of single‐molecule electronics: a chemical and mesoscopic view Y Xue, MA Ratner International journal of quantum chemistry 102 (5), 911-924, 2005 | 83 | 2005 |
| Scaling analysis of electron transport through metal–semiconducting carbon nanotube interfaces: Evolution from the molecular limit to the bulk limit Y Xue, MA Ratner Physical Review B—Condensed Matter and Materials Physics 70 (20), 205416, 2004 | 72 | 2004 |
| Scaling analysis of Schottky barriers at metal-embedded semiconducting carbon nanotube interfaces Y Xue, MA Ratner Physical Review B 69 (16), 161402, 2004 | 58 | 2004 |
| High density ratio lattice Boltzmann method simulations of multicomponent multiphase transport of H2O in air CD Stiles, Y Xue Computers & Fluids 131, 81-90, 2016 | 39 | 2016 |
| Schottky barriers at metal-finite semiconducting carbon nanotube interfaces Y Xue, MA Ratner Applied physics letters 83 (12), 2429-2431, 2003 | 38 | 2003 |
| Dynamics of molecules translocating through carbon nanotubes as nanofluidic channels Y Xue, M Chen Nanotechnology 17 (20), 5216, 2006 | 35 | 2006 |
| Local field effects in current transport through molecular electronic devices: Current density profiles and local nonequilibrium electron distributions Y Xue, MA Ratner Physical Review B—Condensed Matter and Materials Physics 70 (8), 081404, 2004 | 33 | 2004 |
| Current–voltage curves for molecular junctions: the effect of Cl substituents and basis set composition CW Bauschlicher Jr, JW Lawson, A Ricca, Y Xue, MA Ratner Chemical physics letters 388 (4-6), 427-429, 2004 | 33 | 2004 |
| Microscopic theory of single-electron tunneling through molecular-assembled metallic nanoparticles Y Xue, MA Ratner Physical Review B 68 (23), 235410, 2003 | 32 | 2003 |
| Current–voltage curves for molecular junctions: pyrene vs diphenylacetylene CW Bauschlicher Jr, A Ricca, Y Xue, MA Ratner Chemical physics letters 390 (1-3), 246-249, 2004 | 19 | 2004 |
| A theoretical study of molecular conduction. III. A nonequilibrium-Green’s-function-based Hartree-Fock approach T Shimazaki, Y Xue, MA Ratner, K Yamashita The Journal of chemical physics 124 (11), 2006 | 17 | 2006 |
