Single-molecule diodes with high rectification ratios through environmental control B Capozzi, J Xia, O Adak, EJ Dell, ZF Liu, JC Taylor, JB Neaton, ... Nature nanotechnology 10 (6), 522-527, 2015 | 428 | 2015 |
Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers MS Inkpen, ZF Liu, H Li, LM Campos, JB Neaton, L Venkataraman Nature chemistry 11 (4), 351-358, 2019 | 258 | 2019 |
Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2 S Barja, S Wickenburg, ZF Liu, Y Zhang, H Ryu, MM Ugeda, Z Hussain, ... Nature Physics 12 (8), 751-756, 2016 | 254 | 2016 |
Detection of sub-MeV dark matter with three-dimensional Dirac materials Y Hochberg, Y Kahn, M Lisanti, KM Zurek, AG Grushin, R Ilan, SM Griffin, ... Physical Review D 97 (1), 015004, 2018 | 233 | 2018 |
Reliable energy level alignment at physisorbed molecule–metal interfaces from density functional theory DA Egger, ZF Liu, JB Neaton, L Kronik Nano letters 15 (4), 2448-2455, 2015 | 131 | 2015 |
Control of single-molecule junction conductance of porphyrins via a transition-metal center ZF Liu, S Wei, H Yoon, O Adak, I Ponce, Y Jiang, WD Jang, LM Campos, ... Nano letters 14 (9), 5365-5370, 2014 | 115 | 2014 |
Charge transport and rectification in molecular junctions formed with carbon-based electrodes T Kim, ZF Liu, C Lee, JB Neaton, L Venkataraman Proceedings of the National Academy of Sciences 111 (30), 10928-10932, 2014 | 109 | 2014 |
A reversible single-molecule switch based on activated antiaromaticity X Yin, Y Zang, L Zhu, JZ Low, ZF Liu, J Cui, JB Neaton, L Venkataraman, ... Science advances 3 (10), eaao2615, 2017 | 101 | 2017 |
Bethe ansatz approach to the kondo effect within density-functional theory JP Bergfield, ZF Liu, K Burke, CA Stafford Physical review letters 108 (6), 066801, 2012 | 99 | 2012 |
Electronically transparent Au–N bonds for molecular junctions Y Zang, A Pinkard, ZF Liu, JB Neaton, ML Steigerwald, X Roy, ... Journal of the American Chemical Society 139 (42), 14845-14848, 2017 | 82 | 2017 |
Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional ZF Liu, DA Egger, S Refaely-Abramson, L Kronik, JB Neaton The Journal of Chemical Physics 146 (9), 2017 | 76 | 2017 |
Mapping the transmission functions of single-molecule junctions B Capozzi, JZ Low, J Xia, ZF Liu, JB Neaton, LM Campos, ... Nano letters 16 (6), 3949-3954, 2016 | 76 | 2016 |
Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems T Zelovich, T Hansen, ZF Liu, JB Neaton, L Kronik, O Hod The Journal of Chemical Physics 146 (9), 2017 | 53 | 2017 |
Adiabatic connection in the low-density limit ZF Liu, K Burke Physical Review A—Atomic, Molecular, and Optical Physics 79 (6), 064503, 2009 | 43 | 2009 |
Accelerating GW-Based Energy Level Alignment Calculations for Molecule–Metal Interfaces Using a Substrate Screening Approach ZF Liu, FH da Jornada, SG Louie, JB Neaton Journal of Chemical Theory and Computation 15 (7), 4218-4227, 2019 | 42 | 2019 |
Probing charge transport through peptide bonds JM Brisendine, S Refaely-Abramson, ZF Liu, J Cui, F Ng, JB Neaton, ... The journal of physical chemistry letters 9 (4), 763-767, 2018 | 40 | 2018 |
Voltage dependence of molecule–electrode coupling in biased molecular junctions ZF Liu, JB Neaton The Journal of Physical Chemistry C 121 (39), 21136-21144, 2017 | 34 | 2017 |
Accuracy of density functionals for molecular electronics: The Anderson junction ZF Liu, JP Bergfield, K Burke, CA Stafford Physical Review B—Condensed Matter and Materials Physics 85 (15), 155117, 2012 | 34 | 2012 |
Adiabatic connection for strictly correlated electrons ZF Liu, K Burke The Journal of chemical physics 131 (12), 2009 | 30 | 2009 |
Electronic Structure of Metallophthalocyanines, MPc (M= Fe, Co, Ni, Cu, Zn, Mg) and Fluorinated MPc Q Zhou, ZF Liu, TJ Marks, P Darancet The Journal of Physical Chemistry A 125 (19), 4055-4061, 2021 | 25 | 2021 |