Squares in partial arrays

Vijayachitra, S.; Sasikala, K.

doi:10.1063/1.5112219

Cited by 3 publications

(1 citation statement)

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“…Such systems with larger confinements could be interesting for optical confinement and may have potential application in guided optical emission devices as in edge light emitting diodes (ELED). 69 The thickness of the perovskite slab along with the length of the organic barriers are also playground for materials engineering of these devices. Finally, tuning distorted structures through thermal processing or doping is a possible optimization route to optimize carrier confinement potentials and subsequently, charge transport or emission efficiency.…”

Section: Design Guidelinesmentioning

confidence: 99%

Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignment

et al. 2018

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Layered hybrid organic-inorganic perovskites (HOPs) have re-emerged as potential technological solutions for next-generation photovoltaic and optoelectronic applications. Their two-dimensional (2D) nature confers them a significant flexibility and results in the appearance of quantum and dielectric confinements. Such confinements are at the origin of their fascinating properties, and understanding them from a fundamental level is of paramount importance for optimization. Here, we provide an in-depth investigation of band alignments of 2D HOP allowing access to carriers' confinement potentials. 2D HOPs are conceptualized as composite materials in which pseudoinorganic and -organic components are defined. In this way, computational modeling of band alignments becomes affordable using first-principles methods. First, we show that the composite approach is suitable to study the position-dependent dielectric profiles and enables clear differentiation of the respective contributions of inorganic and organic components. Then we apply the composite approach to a variety of 2D HOPs, assessing the impact on the confinement potentials of well and barrier thickness, of the nature of the inorganic well, and of structural transitions. Using the deduced potentials, we further discuss the limitations of the effective mass approximation, scrutinizing the electronic properties of this family of composite materials. Our simulations demonstrate type-I dominant band alignment in 2D HOPs. Finally, we outline design principles on band alignment toward achieving specific optoelectronic properties. Thus, we present alternative theoretical methods to inspect the properties of 2D hybrid perovskites and expect that the composite approach will be applicable to other classes of layered materials.

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Section: Design Guidelinesmentioning

confidence: 99%