skip to main content

Search for: All records

Creators/Authors contains: "Li, Liang"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. Free, publicly-accessible full text available October 20, 2023
  2. Large conjugated carbon framework has been incorporated as the diimine ligand for Re(α-diimine)(CO)3Cl complexes with a pyrazinyl linkage, either to increase energy efficiency or to turn them into heterogeneous catalysts for selective electrocatalytic CO2 reduction. However, there exists a nonmonotonic dependence of CO2 reduction overpotential on the conjugation size of the ligands. Understanding its origin could facilitate heterogenization of molecular catalysts with improved energy efficiency. Here, we show that the conjugated pyrazinyl moiety plays a crucial role in catalysis by enabling a proton-coupled, lower-energy pathway for CO2 reduction. With ligands of moderate size, the pathway leads to previously unknown intermediates and decreases CO2 reduction overpotential. Because the pathway hinges on the basicity of the pyrazinyl nitrogen, we propose that it imposes a limit on the conjugation size of the ligand for the pathway to be effective.
    Free, publicly-accessible full text available October 24, 2023
  3. Free, publicly-accessible full text available July 1, 2023
  4. Free, publicly-accessible full text available September 1, 2023
  5. ABSTRACT The composition of relativistic outflows producing gamma-ray bursts is a long-standing open question. One of the main arguments in favour of magnetically dominated outflows is the absence of photospheric component in their broad-band time-resolved spectra, with such notable example as GRB 080916C. Here, we perform a time-resolved analysis of this burst and confirm the previous detection of an additional spectral component. We show that this subdominant component is consistent with the photosphere of ultrarelativistic baryonic outflow, deep in the coasting regime. We argue that, contrary to previous statements, the magnetic dominance of the outflow is not required for the interpretation of this GRB. Moreover, simultaneous detection of high-energy emission in its prompt phase requires departure from a one-zone emission model.
    Free, publicly-accessible full text available April 10, 2023
  6. Abstract

    Fixed-point fast sweeping WENO methods are a class of efficient high-order numerical methods to solve steady-state solutions of hyperbolic partial differential equations (PDEs). The Gauss-Seidel iterations and alternating sweeping strategy are used to cover characteristics of hyperbolic PDEs in each sweeping order to achieve fast convergence rate to steady-state solutions. A nice property of fixed-point fast sweeping WENO methods which distinguishes them from other fast sweeping methods is that they are explicit and do not require inverse operation of nonlinear local systems. Hence, they are easy to be applied to a general hyperbolic system. To deal with the difficulties associated with numerical boundary treatment when high-order finite difference methods on a Cartesian mesh are used to solve hyperbolic PDEs on complex domains, inverse Lax-Wendroff (ILW) procedures were developed as a very effective approach in the literature. In this paper, we combine a fifth-order fixed-point fast sweeping WENO method with an ILW procedure to solve steady-state solution of hyperbolic conservation laws on complex computing regions. Numerical experiments are performed to test the method in solving various problems including the cases with the physical boundary not aligned with the grids. Numerical results show high-order accuracy and good performance of the method.more »Furthermore, the method is compared with the popular third-order total variation diminishing Runge-Kutta (TVD-RK3) time-marching method for steady-state computations. Numerical examples show that for most of examples, the fixed-point fast sweeping method saves more than half CPU time costs than TVD-RK3 to converge to steady-state solutions.

    « less
  7. Free, publicly-accessible full text available March 1, 2023
  8. Abstract A prompt extra power-law (PL) spectral component that usually dominates the spectral energy distribution below tens of keV or above ∼10 MeV has been discovered in some bright gamma-ray bursts (GRBs). However, its origin is still unclear. In this paper, we present a systematic analysis of 13 Fermi short GRBs, as of 2020 August, with contemporaneous keV–MeV and GeV detections during the prompt emission phase. We find that the extra PL component is a ubiquitous spectral feature for short GRBs, showing up in all 13 analyzed GRBs. The PL indices are mostly harder than −2.0, which may be well reproduced by considering the electromagnetic cascade induced by ultrarelativistic protons or electrons accelerated in the prompt emission phase. The average flux of these extra PL components positively correlates with that of the main spectral components, which implies they may share the same physical origin.
  9. Designing highly insulating sub-nanometer molecules is difficult because tunneling conductance increases exponentially with decreasing molecular length. This challenge is further enhanced by the fact that most molecules cannot achieve full conductance suppression with destructive quantum interference. Here, we present results for a series of small saturated heterocyclic alkanes where we show that conductance is suppressed due to destructive interference. Using the STM-BJ technique and density functional theory calculations, we confirm that their single-molecule junction conductance is lower than analogous alkanes of similar length. We rationalize the suppression of conductance in the junctions through analysis of the computed ballistic current density. We find there are highly symmetric ring currents, which reverse direction at the antiresonance in the Landauer transmission near the Fermi energy. This pattern has not been seen in earlier studies of larger bicyclic systems exhibiting interference effects and constitutes clear-cut evidence of destructive σ-interference. The finding of heterocyclic alkanes with destructive quantum interference charts a pathway for chemical design of short molecular insulators using organic molecules.