718 citations · 734 across the 8 of their papers we have counts for
10 papers
Defects in Halide Perovskites: Does It Help to Switch from 3D to 2D?
Haibo Xue, Zehua Chen, Shuxia Tao +1
Ruddlesden-Popper hybrid iodide 2D perovskites are put forward as stable alternatives to their 3D counterparts. Using first-principles calculations, we demonstrate that equilibrium…
Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI
Haibo Xue, José Manuel Vicent-Luna, Shuxia Tao +1
Lattice defects affect the long-term stability of halide perovskite solar cells. Whereas simple point defects, i.e., atomic interstitials and vacancies, have been studied in great…
Efficient Extraction of Hot Carriers in Perovskite Quantum Dot through Building State Coupled Complex
Yusheng Li, Junke Jiang, Dandan Wang +12
Utilizing hot carriers is the crucial approach for solar cell to exceed the thermodynamic detailed balance limit, yet effective extraction of hot carriers in absorber materials via…
The Role of Solvents in the Formation of Methylammonium Lead Triiodide Perovskite
Junke Jiang, José Manuel Vicent-Luna, Shuxia Tao
Metal halide perovskites (MHPs) are gaining increasing attention as low-cost, high-performance semiconductors for optoelectronics. In particular, their solution processing is compa…
A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium -- the role of grain boundaries
Chidozie Onwudinanti, Mike Pols, Geert Brocks +4
Ruthenium thin films can serve as protective caps for multi-layer extreme ultraviolet mirrors exposed to atomic hydrogen. Hydrogen permeation through ruthenium is problematic as it…
Efficient Computation of Metal Halide Perovskites Properties using the Extended Density Functional Tight Binding: GFN1-xTB Method
J. M. Vicent-Luna, S. Apergi, S. Tao
In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The…