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Band gap variations in thin film structures, across grain boundaries, and in embedded nanoparticles are of increasing interest in the materials science community. As many common experimental techniques for measuring band gaps do not have…

材料科学 · 物理学 2018-10-22 Cecilie S. Granerød , Wei Zhan , Øystein Prytz

Bandgaps in layered materials are critical for enabling functionalities such as tunable photodetection, efficient energy conversion, and nonlinear optical responses, which are essential for next-generation photonic and quantum devices. Gap…

Halide exchange in lead-based halide perovskites has been studied extensively. While mixed Cl-Br or Br-I alloy compositions can be formed with no miscibility gaps, this is precluded for mixed Cl-I compositions, due to the large difference…

The halide perovskites have truly emerged as efficient optoelectronic materials and show the promise of exhibiting nontrivial topological phases. Since the bandgap is the deterministic factor for these quantum phases, here we present a…

材料科学 · 物理学 2021-03-31 Ravi Kashikar , Mayank Gupta , B. R. K. Nanda

Mixed-halide perovskites offer a route to enhance phase stability and modify optoelectronic properties. Here, we use large-scale molecular dynamics simulations with a reactive force field to investigate defects in…

材料科学 · 物理学 2026-05-12 Konrad Wilke , Mike Pols , Titus S. van Erp , Geert Brocks , Shuxia Tao

Lead (Pb) halide perovskites have achieved great success in recent years due to their excellent optoelectronic properties, which is largely attributed to the lone-pair s orbital-derived antibonding states at the valence band edge. Guided by…

材料科学 · 物理学 2021-05-07 Gang Tang , Philippe Ghosez , Jiawang Hong

High-resolution mapping of electronic properties at oxide heterointerfaces remains challenging due to probe delocalization and overlapping signals. In this work, we employ monochromated, probe-corrected scanning transmission electron…

In this investigation, we have synthesized thermally stable cubic CsSnCl$_{3}$ perovskite nanocrystals (crystal size ~300 nm) with better surface morphology by the hot-injection technique. Excellent crystalline quality of these cubic…

材料科学 · 物理学 2021-11-02 Md. Shahjahan Ali , Subrata Das , Yasir Fatha Abed , M. A. Basith

We use solid-state methods to synthesize single crystals of perovskite-phase cesium lead iodide (${\gamma}$-CsPbI3) that are kinetically stable at room temperature. Single crystal X-ray diffraction characterization shows that the compound…

应用物理 · 物理学 2019-07-10 Daniel B. Straus , Shu Guo , Robert J. Cava

We have investigated nonlinear refraction in all-inorganic halide perovskites, the CsPbBr$_3$ and CsPbBr$_{1.5}$I$_{1.5}$ nanosheet and quantum dot colloids in toluene, by a novel beam deflection technique using near-resonant continuous…

介观与纳米尺度物理 · 物理学 2019-11-12 Samrat Roy , Arnab Mandal , Akshay Raj R. , Sayan Bhattacharyya , Bipul Pal

Compared to first principles studies like DFT (physically accurate, computationally expensive), the TB approach allows the disentanglement of the region of interest, to wit the fermi level. This allows the creation of simplified, highly…

材料科学 · 物理学 2025-01-14 Misbah Shaheen , Sheharyar Pervez

Many-body effect and strong Coulomb interaction in monolayer transition metal dichalcogenides lead to shrink the intrinsic bandgap, originating from the renormalization of electrical/optical bandgap, exciton binding energy, and spin-orbit…

The high-entropy halide-perovskite field has expanded rapidly, yet a key gap remains: configurational entropy is not yet a reliable, designable lever to co-deliver expanded photonic functionality and operational robustness with a…

Halide double perovskites have gained significant attention, owing to their composition of low-toxicity elements, stability in air and long charge-carrier lifetimes. However, most double perovskites, including Cs2AgBiBr6, have wide…

Three-dimensional lead halide perovskites have surprised people for their defect-tolerant electronic and optical properties, two-dimensional lead halide layered structures exhibit even more puzzling phenomena: luminescent edge states in…

The tunability of the optical properties of lead halide perovskite nanocrystals makes them highly appealing for applications. Both, halide anion exchange and quantum confinement pave the way for tailoring their band gap energy. For…

Lead halide perovskites (LHPs) exhibit outstanding optoelectronic properties, making them highly promising for applications in various optoelectronics devices. However, rapid ion migration in LHPs not only undermines device stability but…

Hybrid organic-inorganic metal halide perovskites are emerging materials in photovoltaics, whose bandgap is one of the most crucial parameters governing their light harvesting performance. Here we present the temperature and photocarrier…

Extensive efforts have been undertaken on the photoelectric physics of hybrid organolead halide perovskites to unveil the reason for the attractive photovoltaic performance. Yet, the resulting evidences are far from being fully conclusive.…

CsSn$_x$Ge$_{1-x}$I$_3$ as lead-free perovskites are promising for next generation NIR emitting perovskite LEDs due to their tunable bandgaps and stability. However, they suffer from poor light extraction efficiency, and accurate…