Showing papers by "Jinfeng Zhao published in 2019"
TL;DR: It was discovered that the structural rigidity and mechanical anisotropy of GeS could be significantly improved by loading graphene and this paved the way for experimental research and the design of other 2D nanomaterial-based electronic and optoelectronic devices.
Abstract: Two-dimensional (2D) metal–semiconductor junctions have shown significant potential for nanoelectronic and optoelectronic applications. Herein, the structural and electronic properties of a germanium monosulfide/graphene (GeS/G) van der Waals (vdW) heterostructure were explored using first-principles calculations. It was discovered that the structural rigidity and mechanical anisotropy of GeS could be significantly improved by loading graphene. In addition, the intrinsic characteristics of the atomic layer GeS and graphene were well preserved, and the formation of a p-type Schottky contact in the equilibrium state was demonstrated; moreover, the Schottky barrier height of the interface was sensitive to the external condition and could be reduced to zero via applying normal strain or a perpendicular electric field. These insightful results pave the way for experimental research and the design of other 2D nanomaterial-based electronic and optoelectronic devices.
62 citations
26 Mar 2019
TL;DR: In this article, the triple hydrogen-bonded triquinolonobenzene (TQB) molecule was investigated for its excited-state dynamics and proton transfer mechanism in different solvents.
Abstract: The triple hydrogen-bonded triquinolonobenzene (TQB) molecule is investigated for its excited-state dynamics and proton transfer (ESIPT) mechanism in different solvents in this work. Through insigh...
52 citations
22 Oct 2019
TL;DR: In this paper, excited-state intramolecular proton transfer (ESIPT) coupled with aggregation-induced enhanced emission (AIEE) offers a better route to design more efficient highly emissive materials.
Abstract: Excited-state intramolecular proton transfer (ESIPT) coupled to aggregation-induced enhanced emission (AIEE) offers a better route to design more efficient highly emissive materials. These material...
45 citations
15 Jul 2019
TL;DR: In this paper, the authors show that the size of the π stack largely affects the molecular properties in the excited states of 2′-hydroxychalcone derivatives, which have important applications in biotransformation reactions.
Abstract: In this work, we present that different structures lead to different excited state properties based on the investigations of the systems with symmetrical and unsymmetrical properties. Our work shows that the symmetrical and unsymmetrical compounds with a modified structure play key roles in regulating the excited state intramolecular proton transfer (PT) (ESIPT) process. For N,N′-bis(salicylidene)-p-phenyle-nediamine (BSP) and N,N′-disalicylidene-1,6-pyrenediamine (BSD), when they are excited, the torsion angels result in the rematch of the spectra. By analyzing the potential energy surfaces (PESs) of the torsion angle and PT process, we conclude that the size of the π stack largely affects the molecular properties in the excited states. For 2′-hydroxychalcone derivatives, which have important applications in biotransformation reactions, investigating the molecules of M1 and M2 could promote innovation in bioengineering. The results of molecular electrostatic potential (MEP) and the real space intramolecu...
6 citations
4 citations
4 citations