A5077266072- Perovskite Materials and Applications
- 2D Materials and Applications
- Conducting polymers and applications
- Advanced Photocatalysis Techniques
- Coral and Marine Ecosystems Studies
- Electronic and Structural Properties of Oxides
- Carbon Nanotubes in Composites
- Organic Light-Emitting Diodes Research
- Advanced Condensed Matter Physics
- Advanced Thermoelectric Materials and Devices
- Crystal Structures and Properties
- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
- Inorganic Chemistry and Materials
Nanyang Technological University
2023
State Key Laboratory on Integrated Optoelectronics
2020-2022
Jilin University
2007-2022
McMaster University
2018
The extended charge carrier lifetime in hybrid halide perovskites was attributed to a quasi-indirect band gap that arises due Rashba splitting both conduction and valence edges. In this paper, we present results for an effective relativistic structure of $({\mathrm{CH}}_{3}{\mathrm{NH}}_{3}){\mathrm{PbI}}_{3}$ with the focus on dispersion electronic states near edges affected by thermal structural fluctuations. We establish relationship between magnitude deviation Pb atom from its...
Due to the presence of heavy elements and dynamic nature hybrid halide perovskites, strong spin–orbit coupling effect can give rise Rashba band splitting in these materials. Despite many reports on 3D perovskites like CH3NH3PbI3, little is known about its two-dimensional Ruddlesden–Popper (2DRP) perovskites. In this work, we use first-principle calculations investigate magnitude origin three families 2DRP We demonstrate correlation between octahedron distortions. Moreover, different numbers...
Type II heterostructures formed by organic semiconducting ligands and inorganic layers in two-dimensional (2D) hybrid perovskites can offer separated charge transport channels for holes electrons. In this work, we studied a new lead-based 2D Dion–Jacobson perovskite structure incorporating simple terphenyl diammonium salts as spacers. The investigations of the electronic photophysical properties, combined with theoretical calculations, indicate that forms type heterostructure producing...
Two-dimensional Ruddlesden-Popper (2DRP) halide perovskites have emerged as promising solar absorbers due to their much-enhanced stability compared with three-dimensional counterparts, but the light conversion efficiency is limited by intrinsic optoelectronic properties such increased exciton binding energy and poor cross-layer carrier transport properties. We herein demonstrate, through first-principles calculations, that of 2DRP can be enhanced adopting short-chain interlayer spacers among...
Two-dimensional (2D) phosphorene has been extensively studied for potential electronic and optoelectronic applications. It is easily oxidized by adsorbing oxygen in the air, exhibiting changed materials stability properties. Yet impact of concentrations on properties never systematically investigated. In this article, at different are via first-principles crystal structure searches. We considered stoichiometries P8O, P16O3, P4O P8O3, with both single-side dual-side adsorption selected case...
High-pressure structural and electronic transitions of SbI 3 under different hydrostatic environments were investigated using synchrotron X-ray diffraction, Raman spectroscopy, electrical conductivity first-principles theoretical calculations.
Calculations have been made for carbon nanotubes containing substitutional nitrogen impurity atoms using ab initio density functional theory. It is found that the distribution of N depends upon chirality and diameter tube. When two are introduced into (5, 5), (6, 6) (7, 4) tubes, prefer to be adjacent each other along circumference, while they tend far from in nanotubes. As more incorporated, localized, leading broken – bond interstice formed thin tubes. However, thick distribute uniformly....