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Meng, Jie

Publications and source records attributed to Meng, Jie.

12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum

Oligonuclear complexes of d 4 -d 7 transition metal ion centers that undergo spin-switching have long been developed for their practical role in molecular electronics. Recently, they also have appeared as promising photochemical reactants demonstrating improved stability. However, the lack of knowledge about their photophysical properties in the solution phase compared to their mononuclear congeners is currently hampering their inclusion into advanced light-driven reactions. In the present study, the ultrafast photoinduced dynamics in a solvated [2x2] iron(II) metallogrid complex are characterized by combining transient optical, infrared absorption and X-ray emission spectroscopic measurements on the femtosecond timescale. The analysis is supported by DFT calculations. The photocycle can be described in terms of intra-site transitions, where the Fe II in the low-spin (LS) state are independently photoexcited. The Franck-Condon state decays via the formation of a vibrationally-hot high-spin (HS) state that displays coherent behavior within a few picoseconds and thermalizes within tens of picosecond to yield a metastable HS state living for several hundreds of nanoseconds. Additionally, systematic comparison with the closely related mononuclear complex [Fe(terpy) 2 ] 2+ reveals that nuclearity has a profound impact on the photoinduced dynamics. Finally, this work provides guidelines for expanding the integration of oligonuclear complexes into new photoconversion schemes that may be triggered by ultrafast spin-switching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies

An atomistic understanding of the photoinduced spin-state switching (PSS) within polynuclear systems of d 4 –d 7 transition metal ion complexes is required for their rational integration into light-driven reactions of chemical and biological interest. However, in contrast to mononuclear systems, the multidimensional dynamics of the PSS in solvated molecular arrays have not yet been elucidated due to the expected complications associated with the connectivity between the metal centers and the strong interactions with the surroundings. Herein, the PSS in a solvated triiron(II) metallogrid complex is characterized using transient optical absorption and X-ray emission spectroscopies on the femtosecond time scale. The complementary measurements reveal the photoinduced creation of energy-rich (hot) and long-lived quintet states, whose dynamics differ critically from their mononuclear congeners. We report this finding opens major prospects for developing novel schemes in solution-phase spin chemistry that are driven by the dynamic PSS process in compact oligometallic arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Tribo-corrosion and Albumin Attachment of Nitrogen Ion-Implanted CoCrMo Alloy During Friction Onset

In this paper, CoCrMo alloy surface was implanted with 100 keV nitrogen ions to modify it. Bovine serum albumin (BSA) adsorption and the initial behavior of tribo-corrosion in the simulated system were studied. Nitrogen ion implantation can promote BSA dynamic adsorption due to the change of friction and wear mechanisms. From the tribo-corrosion test results, the open circuit potential (OCP) increased to about 0.6 V and the coefficient of friction (COF) decreased to about 0.2 for the nitrogen ion-implanted CoCrMo compared with the untreated sample before the modified layer failure. The point when the open circuit potential and the coefficient of friction changed during long wear time (1, 2 and 4 h) is considered the sign of the worn through modified layer. Then, the OCP of the implanted sample rose by 0.3 V compared with the untreated sample, and the COF remained at around 0.3, which is lower compared with the COF of untreated sample after the modified layer has been worn through. Thus, nitrogen ion implantation not only improved wear and corrosion resistance of the CoCrMo alloy, but also promoted BSA adsorption on the CoCrMo alloy surface, which effectively reduced the wear volume and metal ions release.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Examination of evidence for resonances at high excitation energy in the 7 α disassembly of Si 28

We present the experimental excitation function for the 7α de-excitation of 28 Si nuclei excited to high excitation energies in the collisions of 35 MeV/nucleon 28 Si with 12 C reveals resonance structures. The possibility that these structures may indicate the population of toroidal high-spin isomers such as those predicted by a number of recent theoretical calculations is discussed and the need for further investigations is emphasized.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1 . Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1 ). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostly in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Graphene/GaN diodes for ultraviolet and visible photodetectors

The Schottky diodes based on graphene/GaN interface are fabricated and demonstrated for the dual-wavelength photodetection of ultraviolet (UV) and green lights. The physical mechanisms of the photoelectric response of the diodes with different light wavelengths are different. For UV illumination, the photo-generated carriers lower the Schottky barrier and increase the photocurrent. For green light illumination, as the photon energy is smaller than the bandgap of GaN, the hot electrons excited in graphene via internal photoemission are responsible for the photoelectric response. Using graphene as a transparent electrode, the diodes show a ∼mS photoresponse, providing an alternative route toward multi-wavelength photodetectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗