Related papers: Elucidating Structure Formation in Highly Oriented…
Ion and metal diffusion in metal halide perovskites, charge-transporting layers, and electrodes are detrimental to the performance and stability of perovskite-based photovoltaic devices. As a result, there is an intense research interest in…
Mixed-cation Cesium-Methylammonium lead halide perovskite (CsxMA1-xPbI3-xBrx) thin-films have been used to demonstrate stable and efficient perovskite devices. However, a systematic study of the Cs incorporation on the properties of the…
Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication (Phys. Rev. B 95, 245121(2017)) on…
We report a first-principles study of Bi-based 3$d$-5$d$ ordered double perovskite oxides (A$_2$BB$^\prime$O$_6$) with a 3$d$ atom (Fe) at the B-site and 5$d$ atoms (Re,Ir) at the B$^\prime$-site while keeping highly polarizable ions…
The linear 1-alcohols n-C16H33OH, n-C17H35OH, n-C19H37OH have been imbibed and solidified in lined up, tubular mesopores of silicon with 10 nm and 15 nm mean diameters, respectively. X-ray diffraction measurements reveal a set of six…
Nitride perovskites $AB$N$_3$ are an emerging and highly under-explored class of materials that are of interest due to their intriguing calculated ferroelectric, optoelectronic, and other functional properties. Incorporating novel $A$-site…
Halide perovskites are promising semiconductor materials for optoelectronics. One of their unique features is the synthesis, that could be performed by the crystallization from the solution. This method is fast, but practically couldn't be…
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…
Metallic delafossites (ABO2) are layered oxides with quasi-two dimensional conduction layers. Metallic delafossites are among the most conducting materials with the in-plane conductivity comparable with that of elemental metals. In this…
Compositionally complex perovskites provide the opportunity to develop stable and active catalysts for electrochemical applications. The challenge lies in the identification of single-phase perovskites with optimized composition for high…
Single-phase perovskite 5 at.% Mn-doped and undoped polycrystalline BaTiO3 thin films have been grown under different oxygen partial pressures by pulsed laser deposition on platinum-coated sapphire substrates. Ferroelectricity is only…
We demonstrate the making of BaZrS3 thin films by molecular beam epitaxy (MBE). BaZrS3 forms in the orthorhombic distorted-perovskite structure with corner-sharing ZrS6 octahedra. The single-step MBE process results in films smooth on the…
Lead-free halide double perovskites A$_{2}$M(I)M(III)X$_{6}$ have garnered significant attention in the past decade as promising alternatives to CsPbX$_{3}$ perovskites, addressing concerns related to lead toxicity and material instability.…
Despite soaring performance of organic-inorganic hybrid perovskite materials in recent years, the mechanism of their decomposition at actual operation condition has been elusive. Herein, we elucidated the decrystallization process of…
We screen a large chemical space of perovskite alloys for systems with the right properties to accommodate a morphotropic phase boundary (MPB) in their composition-temperature phase diagram, a crucial feature for high piezoelectric…
Many unusual behaviors in complex oxides are deeply associated with the spontaneous emergence of microscopic phase separation. Depending on the underlying mechanism, the competing phases can form ordered or random patterns at vastly…
The observation of reversible de-mixing phenomena in mixed-halide perovskites under illumination is one of the most challenging as well as intriguing aspects of this class of materials. On the one hand, it poses critical constraints to the…
Nanocrystals of indium oxide (In$_2$O$_3$) with sizes below 10 nm were prepared in alumina matrixes by using a co-pulverization method. The used substrates such as borosilicate glasses or (100) silicon as well as the substrate temperatures…
Determining the 3-dimensional crystallography of a material with sub-nanometre resolution is essential to understanding strain effects in epitaxial thin films. A new scanning transmission electron microscopy imaging technique is…
Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovskites' efficiency, electronic properties and their long-term…