相关论文: Capturing Excitonic Effects in Lead Iodide Perovsk…
Chalcogenide perovskites have emerged as non-toxic and stable photovoltaic materials, acting as an alternative to lead halide hybrid perovskites having similar optoelectronic properties. In the present work, we report the electronic and…
We present a detailed many-body ab initio study of the valence-skipper RbTlCl$_{3}$ perovskite compound for photovoltaic (PV) applications. The electronic and optical properties, both with and without spin-orbit coupling, have been…
The discovery of lead free all-inorganic alloyed double perovskites have revolutionized photovoltaic research, showing promising light emitting efficiency and its tunability. However, detailed studies regarding optical, exciton, polaron and…
Modelling the inorganic exciton contribution to 2D hybrid organic-inorganic perovskites is essential to understand their properties and screen for new materials. Here, we combine hybrid density functional theory calculations including spin…
We theoretically investigate lead iodide perovskites of general formula APbI$_3$ for a series of metallic cations (namely Cs$^+$, Rb$^+$, K$^+$, Na$^+$ and Li$^+$) by means of the density functional theory, GW method and Bethe-Salpeter…
We present a systematic investigation of the role and importance of excitonic effects on the optical properties of transitions metal oxide perovskites. A representative set of fourteen compounds has been selected, including 3$d$ (SrTiO$_3$,…
Electronic states of the hybrid perovskite enable their promising applications as distinctive optoelectronic materials. The understanding of their electronic structures and charge characters remains highly controversial. The electronic…
The development of high efficiency perovskite solar cells has sparked a multitude of measurements on the optical properties of these materials. For the most studied methylammonium(MA)PbI$_3$ perovskite, a large range (6-55 meV) of exciton…
The exciton binding energy ($E_b$) is a key parameter that governs the physics of many optoelectronic devices. At their best, trustworthy and precise measurements of $E_b$ challenge theoreticians to refine models, are a driving force in…
Recent reports indicate that perovskite based light emitting diodes (LEDs) have achieved an external quantum efficiency (EQE) of 32% - rather an internal quantum efficiency close to 100%. Much of this improved performance is attributed to…
Hybrid organic-inorganic perovskites, such as methyl-ammonium lead tri-iodide (MAPbI$_3$), are interesting candidates for efficient absorber materials in next-generation solar cells, partly due to an unusual combination of low exciton…
In pursuit of an all-inorganic non-toxic perovskite solar cell (PSC) with enhanced performance, we have investigated the rhombohedral phase of the germanium-based rubidium halide perovskites RbGeX$_3$ (X = Cl, Br, I). The structural…
Divalent cations mixed lead halide perovskites with enhanced performances, high stabilities, and reduced toxicity are requisite to make persistent progress in perovskite solar cells. However, the mixing strategy is not reported extensively…
This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work…
Hybrid organic/inorganic perovskites have emerged as efficient semiconductor materials for applications in photovoltaic solar cells with conversion efficiency above 20 \%. Recent experiments have synthesized ultra-thin two-dimensional (2D)…
One of the challenges of excitonic materials is the accurate determination of the exciton binding energy and bandgap. The difficulty arises from the overlap of the discrete and continuous excitonic absorption at the band edge. Many…
For opto-electronic and photo-voltaic applications of perovskites, it is essential to know the optical properties and intrinsic losses of the used materials. A systematic microscopic analysis is presented for the example of methylammonium…
Coherent interaction between matter and periodic light field induces both optical Stark effect (OSE) and Bloch-Siegert shift (BSS). Observing the BSS has been historically challenging, not only because it is weak but it is often accompanied…
Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the comparable solar cell performance. In this work, we…
CsPbI3 has recently received tremendous attention as a possible absorber of perovskite solar cells (PSCs). However, CsPbI3-based PSCs have yet to achieve the high performance of the hybrid PSCs. In this work, we performed a density…