The tetragonal structure of K2NiF4 (Fig. 3) can be regarded as consisting of KNiF3 perovskite slabs of one unit cell thick, which are stacked one over the other along the c-direction. The adjacent slabs are displaced relative to one another by 12 12 12, such that the c-axis of the...
THE mineral perovskite, CaO.TiO, is known as the prototype for the crystal structures of a large group of compounds; the unit cell is essentially cubic, but for most members distorted to various degrees in an orthorhombic, monoclinic, or triclinic manner. Hitherto the composition ABXhas been ...
2.1Crystal Structure The organic–inorganic hybrid perovskite materials have a typical ABX3perovskite structure (Fig.2a) [36]. The A site is monovalent cation such as methylammonium (MA+), formamidinium (FA+) and Cs+, B site is divalent cation such as Pb2+and Sn2+, and X site is halid...
Structure direction of II–VI semiconductor quantum dot binary nanoparticle superlattices by tuning radius ratio. ACS Nano 2, 1219–1229 (2008). Article CAS PubMed Google Scholar Coropceanu, I., Boles, M. A. & Talapin, D. V. Systematic mapping of binary nanocrystal superlattices: the role...
Perovskite minerals have a crystal structure comparable with titanate (CaTiO3), which Russian mineralogist Lev Perovskite found out. The name "perovskite" was later developed to present a collection of minerals that have the same structured crystalline unit cell as CaTiO3. Perovskite materials, in ge...
points. This unique feature gives rise to a zero effective mass for carriers and imparts graphene with semi-metal properties, ultimately endowing it with the highest recorded electron mobility up to 2 × 105cm2V−1s−1at finite temperatures [39,74]. The electronic structure engineering...
structure 1 and crystallizes in the tetragonal space group of I4/mmm (no. 139) with the unit cell parameters of a = b = 5.6385(8) Å, c = 18.879(4) Å. The 2D [PbI 2 Cl 2 ] n 2n− plane is constructed by the corner-sharing Pb-centered [PbI 2 Cl 4 ] 4− unit, wh...
Nanoparticles (NPs) of (La1-xSrx)(Fe1-xNix)O-3, (x = 0.0, 0.1 & 0.2) with orthorhombic perovskite structure was successfully prepared through the sol-gel c... Y Bugeaud,S Harrap,S Kristensen,... - 《Electronic Materials Letters》 被引量: 36发表: 2013年 Preparation and Characterizatio...
(768 atoms) of the pseudo-cubic unit cell was modelled; a plane wave cutoff energy of 500 eV,k-point sampling at the gamma point, PAW pseudopotentials59and the PBEsol exchange-correlation functional were employed. For structure relaxation, forces were converged to <0.01 eV Å−1....
Unit cell structure of (PEA)2(MA)n−1PbnI3n+1 perovskites with different n values, showing the evolution of dimensionality from 2D (n = 1) to 3D (n = ∞) (Reproduced with permission from ref. 34); c DFT simulation of the decomposition lifetime with different n values in ...