相关论文: Metal-free perovskites for non-linear optical mate…
Nonlinear processes can offer pathways to next-generation sensors and frequency mixing devices to overcome modern imaging, detection, and communication challenges. In this article, we report on strong second and third-order nonlinear…
Vacancy-ordered double perovskites (A$_2$BX$_6$), being one of the environmentally friendly and stable alternatives to lead halide perovskites, have garnered considerable research attention in the scientific community. However, their…
There is great interest in hybrid organic-inorganic materials such as metal-organic frameworks (MOFs). The compounds [C(NH$_{2}$)$_{3}$]M(HCOO)$_{3}$, where M=Cu$^{2+}$ or Cr$^{2+}$ are Jahn-Teller (JT) active ions, are MOF with perovskite…
The ability to finely tune optoelectronic properties in semiconductors is crucial for the development of advanced technologies, ranging from photodetectors to photovoltaics. In this work, we propose a novel strategy to achieve such…
Antiferroelectrics are antipolar materials which possess an electric field-induced phase transition to a polar, ferroelectric phase and offer significant potential for sensing/actuation and energy-storage applications. Known…
Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally…
The structural flexibility and multifunctional nature of double perovskite oxides make them attractive for applications requiring coupled optical, mechanical, and thermal performance. Using first-principles computations, this study examines…
Van der Waals (vdW) solids, as a new type of artificial materials that consist of alternating layers bonded by weak interactions, have shed light on fascinating optoelectronic device concepts. As a result, a large variety of vdW devices…
The discovery of double perovskites A2B(I)B(III)X6 (A=monovalent cation; B(I)/B(III) = metal cation; X = halogen) as Pb(II)-free alternatives has attracted widespread attention, making it possible to introduce d-block metal cations (e.g.,…
Perovskite-type iron oxides with Fe4+ ions have attracted much attention for their versatile helimagnetic phases. While the introduction of a layered A-site ordered structure to AFeO3 with Fe4+ ions potentially lead to novel helimagnetic…
Lead-free double perovskite materials (viz. Cs$_2$AgInCl$_6$) are being explored as stable and non-toxic alternatives of lead halide perovskites. In order to expand the optical response of Cs$_2$AgInCl$_6$ in visible region, we report here…
Novel halide perovskites with improved stability and optoelectronic properties can be designed via composition engineering at cation and/or anion sites. Data-driven methods, especially high-throughput first principles computations and…
Solid-state devices made from correlated oxides such as perovskite nickelates are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable…
Transition metal oxides, which have a perovskite structure, have received much attention in recent decades. This is because of the very suitable properties that can be used in various industries. One of the fields where the properties of…
Nanophotonics research has focused recently on the ability of non-linear optical processes to mediate and transform optical signals in a myriad of novel devices, including optical modulators, transducers, color filters, photodetectors,…
The ideal band gap for a photovoltaic active layer for the solar spectrum is around 1.3 eV. However oxides with such values are rare. One of the most studied oxides to date as a photovoltaic active layer is the cuprous oxide Cu2O. Its band…
A variety of organic-inorganic hybrid perovskites (APbX3) consisting of mixed center cations [A = CH3NH3+, HC(NH2)2+, Cs+] with different PbX3- cages (X = I, Br, Cl) have been developed to realize high-efficiency solar cells. Nevertheless,…
Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…
Hybrid organic-inorganic (HOI) compounds are excellent candidates for a wide spectrum of applications in diverse fields such as optics, electronics, energy and biotechnology. Their broad range of versatility is achieved by combining the…