Publications

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Chiang T-M, Hsu L-Y*. "Quantum transport with electronic relaxation in electrodes: Landauer-type formulas derived from the driven Liouville–von Neumann approach." J. Chem. Phys.. 2020;153:044103. AbstractWebsite

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Chiang T-M, Huang Q-R, Hsu L-Y*. "Electric Current Fluctuations Induced by Molecular Vibrations in the Adiabatic Limit: Molecular Dynamics-Driven Liouville von Neumann Approach." J. Phys. Chem. C. 2019;123:10746-10755. AbstractWebsite

We investigate time-dependent electron transport through a molecular junction in the adiabatic limit at the density-functional tight-binding level using the molecular dynamics-driven Liouville von Neumann (MD-DLvN) approach. When electron transport involves nuclear dynamics at finite temperature (∼70 K) within the NVE ensemble, we find that the steady-state current cannot be achieved even for a very short molecule (trans-fumaronitrile). Furthermore, to establish a relationship between electric current fluctuations and molecular vibrations, we analyze the similarities and differences between the current noise spectra and the MD power spectra. Our simulations show that not all normal modes can bring about current fluctuations. Furthermore, when a normal mode satisfies a particular symmetry, the normal mode can lead to frequency doubling of current fluctuations. This investigation offers new directions for studying electronic dynamics in a nonequilibrium open quantum system.

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Ding W, Hsu L-Y*, Schatz GC *. "Plasmon-coupled resonance energy transfer: A real-time electrodynamics approach." J. Chem. Phys.. 2017;146:064109.
Ding W, Hsu L-Y*, Heaps CW, Schatz GC *. "Plasmon-Coupled Resonance Energy Transfer II: Exploring the Peaks and Dips in the Electromagnetic Coupling Factor." J. Phys. Chem. C. 2018;122:22650-22659. AbstractWebsite

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Fu B, Mosquera MA, Schatz GC, Ratner MA, Hsu L-Y*. "Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor." Nano Lett.. 2018;18:5015-5023. AbstractWebsite

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Fu B, Hsu L-Y*. "Photoinduced anomalous Coulomb blockade and the role of triplet states in electron transport through an irradiated molecular transistor. II. Effects of electron-phonon coupling and vibrational relaxation." J. Chem. Phys.. 2019;151:054704. AbstractWebsite

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Hsu L-Y, Huang Q-R, Jin B-Y*. "Charge transport through a single molecular wire based on linear multimetal complexes: A Non-Equilibrium Green's Function approach." J. Phys. Chem. C. 2008;112:10538-10541. Abstract

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Hsu L-Y*, Tsai T-W, Jin B-Y*. "Transport through a mixed-valence molecular transistor in the sequential-tunneling regime: Theoretical insight from the two-site Peierls-Hubbard model." J. Chem. Phys.. 2010;133. Abstract

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Hsu L-Y, Jin B-Y*. "An investigation of quantum transport by the free-electron network model: Resonance and interference effects." Chem. Phys.. 2009;355:177-182. Abstract

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Hsu L-Y, Rabitz H. "Single-Molecule Phenyl-Acetylene-Macrocycle-Based Optoelectronic Switch Functioning as a Quantum-Interference-Effect Transistor." Phys. Rev. Lett.. 2012;109. Abstract
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Hsu L-Y, Jin B-Y*. "Bandwidth, intensity, and lineshape of the transmission spectrum in the single molecular junction." Chem. Phys. Lett.. 2008;457:279-283. Abstract

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Hsu L-Y, Wu N, Rabitz H. "Gate Control of the Conduction Mechanism Transition from Tunneling to Thermally Activated Hopping." J. Phys. Chem. Lett.. 2014;5:1831-1836. Abstract
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Hsu L-Y, Rabitz H. "Coherent light-driven electron transport through polycyclic aromatic hydrocarbon: laser frequency, field intensity, and polarization angle dependence." Phys. Chem. Chem. Phys.. 2015;17:20617-20629. Abstract
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Hsu L-Y*, Rabitz H*. "Theory of molecular conductance using a modular approach." J. Chem. Phys.. 2016;145:234702 . Abstract

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Hsu L-Y, Ding W, Schatz GC *. "Plasmon-Coupled Resonance Energy Transfer." J. Phys. Chem. Lett.. 2017;8:2357-2367.DOI
Hsu L-Y, Li EY, Rabitz H. "Single-Molecule Electric Revolving Door." Nano Lett.. 2013;13:5020-5025. Abstract
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Hsu L-Y, Jin B-Y, Chen C-H, Peng S-M *. "Reaction: New Insights into Molecular Electronics." Chem. 2017;3(3):378-379.
Hsu L-Y, Xie D, Rabitz H. "Light-driven electron transport through a molecular junction based on cross-conjugated systems." J. Chem. Phys.. 2014;141. Abstract
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Hsu L-Y*, Yen H-C, Lee M-W, Sheu Y-lin, Chen P-C, Dai H*, Chen C-C*. "Large-Scale Inhomogeneous Fluorescence Plasmonic Silver Chips: Origin and Mechanism." Chem. 2020;6:1-13. AbstractWebsite

Summary Large-scale inhomogeneous plasmonic metal chips have been demonstrated as a promising platform for biochemical sensing, but the origin of their strong fluorescence enhancements and average gap dependence is a challenging issue due to the complexity of modeling tremendous molecules within inhomogeneous gaps. To address this issue, we bridged microscopic mechanisms and macroscopic observations, developed a kinetic model, and experimentally investigated the fluorescence enhancement factors of IR800-streptavidin immobilized on metal nanoisland films (NIFs). Inspired by the kinetic model, we controlled the distribution of IR800-streptavidin within the valleys of NIFs by regioselective modification and achieved the fluorescence intensity enhancement up to 488-fold. The kinetic model allows us to qualitatively explain the mechanism of fluorescence intensity enhancements and quantitatively predict the trend of experimental enhancement factors, thereby determining the design principles of the plasmonic metal chips. Our study provides one key step further toward the sensing applications of large-scale plasmonic metal chips.

Hsu L-Y, Chen C-Y, Li EY, Rabitz H. "Gate Control of Artificial Single-Molecule Electric Machines." J. Phys. Chem. C. 2015;119:4573-4579. Abstract
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Hsu L-Y, Rabitz H. "Coherent revival of tunneling." Phys. Rev. B. 2015;92. Abstract
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Hsu L-Y*, Wu N, Rabitz H*. "Conductance and activation energy for electron transport in series and parallel intramolecular circuits." Phys. Chem. Chem. Phys.. 2016;18:32087-32095. Abstract

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Huang M-J, Hsu L-Y, Fu M-D, Chuang S-T, Tien F-W, Chen C-hsien. "Conductance of Tailored Molecular Segments: A Rudimentary Assessment by Landauer Formulation." J. Am. Chem. Soc.. 2014;136:1832-1841. Abstract
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Lee M-W, Hsu L-Y*. "Controllable Frequency Dependence of Resonance Energy Transfer Coupled with Localized Surface Plasmon Polaritons." J. Phys. Chem. Lett.. 2020;11:6796-6804. AbstractWebsite

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Liao K-C, Hsu L-Y, Bowers CM, Rabitz H, Whitesides GM. "Molecular Series-Tunneling Junctions." J. Am. Chem. Soc.. 2015;137:5948-5954. Abstract
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Sheu Y-lin, Hsu L-Y, Chou P-T, Wu H-tieng*. "Entropy-based time-varying window width selection for nonlinear-type time-frequency analysis." Int. J. Data Sci. Anal. (JDSA). 2017;3:231-245. AbstractWebsite

We propose a time-varying optimal window width (TVOWW) and an adaptive optimal window width selection schemes to optimize the performance of several nonlinear-type time-frequency analyses, including the reassignment method and its variations. A window rendering the most concentrated distribution in the time-frequency representation is regarded as the optimal window. The TVOWW selection scheme is particularly useful for signals that comprise fast-varying instantaneous frequencies and small spectral gaps. To demonstrate the efficacy of the method, in addition to analyzing synthetic signals, we study an atomic time-varying dipole moment driven by two-color mid-infrared laser fields in attosecond physics and near-threshold harmonics of a hydrogen atom in the strong laser field.

Sheu Y-lin, Hsu L-Y, Wu H-tieng, Li P-C, Chu S-I. "A new time-frequency method to reveal quantum dynamics of atomic hydrogen in intense laser pulses: Synchrosqueezing transform." AIP Advances. 2014;4. Abstract
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Sheu Y-lin, Wu H-tieng, Hsu L-Y. "Exploring laser-driven quantum phenomena from a time-frequency analysis perspective: a comprehensive study." Opt. Express. 2015;23:30459-30482. Abstract
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Ting T-C, Hsu L-Y, Huang M-J, Horng E-C, Lu H-C, Hsu C-H, Jiang C-H, Jin B-Y, Peng S-M, Chen C-hsien. "Energy-Level Alignment for Single-Molecule Conductance of Extended Metal-Atom Chains." Angew. Chem. Int. Ed.. 2015;54:15734-15738. Abstract
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Wang S, Lee M-W, Chuang Y-T, Scholes GD *, Hsu L-Y*. "Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism." J. Chem. Phys.. 2020;153:184102. AbstractWebsite

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Wang S, Scholes GD *, Hsu L-Y*. "Coherent-to-Incoherent Transition of Molecular Fluorescence Controlled by Surface Plasmon Polaritons." J. Phys. Chem. Lett.. 2020;11:5948-5955. AbstractWebsite

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Wang S, Scholes GD *, Hsu L-Y*. "Quantum dynamics of a molecular emitter strongly coupled with surface plasmon polaritons: A macroscopic quantum electrodynamics approach." J. Chem. Phys.. 2019;151:014105. AbstractWebsite

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Wu J-S, Lin Y-C, Sheu Y-lin, Hsu L-Y*. "Characteristic Distance of Resonance Energy Transfer Coupled with Surface Plasmon Polaritons." J. Phys. Chem. Lett.. 2018;9:7032-7039. AbstractWebsite

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Yen H-C, Su M-N, Liu Y-C, Lee M-W, Sheu Y-lin, Hsu L-Y*, Chen C-C*. "Design of Plasmon Resonance Shifts by the Galvanic Replacement Degree of Au–Ag Nanozappers." J. Phys. Chem. C. 2019;123:29298-29305. AbstractWebsite

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