A5046613731- Synthesis and Properties of Aromatic Compounds
- Nonlinear Optical Materials Studies
- Molecular Junctions and Nanostructures
- Fullerene Chemistry and Applications
- Organic Electronics and Photovoltaics
- Graphene research and applications
- Thermal properties of materials
- Nonlinear Optical Materials Research
- Ammonia Synthesis and Nitrogen Reduction
- 2D Materials and Applications
- Luminescence and Fluorescent Materials
- Rare-earth and actinide compounds
- Porphyrin and Phthalocyanine Chemistry
- Nanomaterials for catalytic reactions
- Carbon Nanotubes in Composites
- Iron-based superconductors research
- Semiconductor Lasers and Optical Devices
- Molecular Spectroscopy and Structure
- Advanced Physical and Chemical Molecular Interactions
- Conducting polymers and applications
- Advanced Photocatalysis Techniques
- Molecular spectroscopy and chirality
- Semiconductor Quantum Structures and Devices
- Physics of Superconductivity and Magnetism
- Perovskite Materials and Applications
Liaoning Shihua University
2022-2024
The one-photon absorption properties (OPA), two-photon (TPA), electronic circular dichroism (ECD) spectra and partial DOS (PDOS) of a twist bilayer graphdiyne nanodisk (TwBLGDY-ND) were investigated by using variety quantum chemistry wave function analyses. physical mechanism the (TwBLGDY) with optical regulated twisting angles was revealed. results show that angle makes TwBLGDY form moiré superlattice structure, electron excitation mainly occurs in first ring structure. contribution atomic...
In this work, we theoretically studied the optical absorption properties of a layer-stacked cocrystal heterogeneous material Spe-TCNB (STC) which is produced by supramolecular self-assembly organic conjugated monomers SPE and TCNB. The highly ordered aggregate structure in STC will lead to intermolecular interactions such as π∼π, hydrogen bonds van der Waals forces, resulting significant charge transfer characteristics large cross-sectional two-photon characteristics. physical mechanism...
The electronic states of the twist bilayer graphene (TBG) moiré superlattice are usually regulated by rotation angle, applied electric field, magnetic carrier concentration and stress, thus exhibit novel physical properties. Squeezing, that is, applying vertical compressive stress to layers, has profound significance in regulating photoelectric properties constructing optical nanodevices. This paper presents a TBG with angle 13.17° tunability under stress. Interlayer distance decreases...
In this work, we theoretically investigate the linear and nonlinear optical absorption properties of open triangulene spin chains cyclic in relation to their lengths shapes. The physical mechanism local excitation within triangular alkene unit weak charge transfer between units are discussed. uniformly distributed electrostatic potential allows system have a small permanent dipole moment that blocks electronic transition light such can only be carried out adjacent carbon atoms. one-photon...
Defects, such as twisting, in fused aromatic hydrocarbons disrupt the plane of π orbital. The twisted structure induces an electric field system and affects spectra. In this work, theoretical studies show that intramolecular within a distinctly is larger than other molecules. addition, spectral study shows degree charge transfer magnetic transition dipole electrostatic potential extremum region molecular were significantly improved, which affected optical absorption chiral behavior molecule....
The striking chiral optical properties of carbon nanostructures are closely related to the precise three-dimensional spatial arrangement (interaction) atoms. This work investigated three different structures all-benzene catenane and trefoil knot regulated by Van der Waals (vdW) forces using density functional theory (DFT) calculations wave function analysis. We systematically illustrate how molecular electrical polarization modulates deflection alkane oligomers under induction van forces. In...
Abstract Superconducting single crystal of Ca 10 (Pt 4 As 8 )((Fe 0.92 Pt 0.08 ) 2 5 has been prepared using flux method, and the physical properties which are careful examined. Resistivity anisotropy between ab plane c -axis is observed, T −0.5 term originated from interlayer Josephson coupling essential to be added formula used describe out-of-plane resistivity. The density state (DOS) value at Fermi level derived fitting specific heat data consistent with calculation results. Both direct...
Single-molecule plasmas are widely used in spectroscopic studies and plasma devices, the organic conjugated molecular chain of poly (benzodifurandione) (PBFDO) has excellent electrical conductivity unique electronic structure. Therefore, an in-depth theoretical study spectroscopic, charge transfer electron transport properties PBFDO polymers analysis physical mechanisms essential. In this work, absorption spectra neutral charged different sizes periodic systems studied theoretically. The...