Zhenfei Liu
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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
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
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
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
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
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
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
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
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
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
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
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
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
Adiabatic connection in the low-density limit
ZF Liu, K Burke
Physical Review A 79 (6), 064503, 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
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
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
Accuracy of density functionals for molecular electronics: The Anderson junction
ZF Liu, JP Bergfield, K Burke, CA Stafford
Physical Review B 85 (15), 155117, 2012
Adiabatic connection for strictly correlated electrons
ZF Liu, K Burke
The Journal of chemical physics 131 (12), 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
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