A first-principle study of the structural, mechanical, electronic and optical properties of vacancy-ordered double perovskite Cs2TeX6 (X = Cl, Br, I)
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137538
Abstract: Abstract In this work, the structural stability, mechanical, electronic and optical properties of vacancy-ordered double perovskites Cs2TeX6 (X = Cl, Br, I) were investigated by using first-principles calculations. Our calculated results show that these perovskite materials exhibit… read more here.
Keywords: ordered double; properties vacancy; optical properties; electronic optical ... See more keywords
Exploring the Stability of Mixed-Halide Vacancy-Ordered Quadruple Perovskites
Sign Up to like & getrecommendations! Published in 2021 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.0c04951
Abstract: The structural and optical properties of the halide substitutions of Br– and I– into Cs4MIIMIII2Cl12 (MII = Cd2+, Mn2+; MIII = Bi3+, Sb3+) have been investigated. All compositions adopt the ⟨111⟩ l... read more here.
Keywords: exploring stability; mixed halide; stability mixed; vacancy ordered ... See more keywords
Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors
Sign Up to like & getrecommendations! Published in 2019 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.8b05036
Abstract: Halide perovskite semiconductors such as methylammonium lead iodide (CH3NH3PbI3) have achieved great success in photovoltaic devices; however, concerns surrounding toxicity of lead and material stability have motivated the field to pursue alternative perovskite compositions and… read more here.
Keywords: vacancy ordered; ordered double; perovskite halide; double perovskite ... See more keywords
Structural and Magnetic Properties of Some Vacancy-Ordered Osmium Halide Perovskites.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c02171
Abstract: The structures and magnetic properties of the Os4+ (5d4) halides K2OsCl6, K2OsBr6, Na2OsBr6, and Na2OsBr6·6H2O are described. K2OsCl6 and K2OsBr6 have a cubic vacancy-ordered double perovskite structure but undergo different symmetry-lowering structural phase transitions upon… read more here.
Keywords: na2osbr6 6h2o; magnetic properties; properties vacancy; vacancy ordered ... See more keywords
Structural, Electronic, and Optical Properties of the Vacancy-Ordered Bismuth–Antimony Perovskites (CH3NH3)3(Bi1–xSbx)2I9
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c10925
Abstract: Lead-based perovskites have achieved excellent photovoltaic efficiencies in the last decade, but key intrinsic issues related to their instability and Pb toxicity need to be overcome for their succ... read more here.
Keywords: properties vacancy; ordered bismuth; structural electronic; vacancy ordered ... See more keywords
Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications
Sign Up to like & getrecommendations! Published in 2018 at "ACS energy letters"
DOI: 10.1021/acsenergylett.7b01167
Abstract: The possibility of lead (Pb) contamination and the volatility of the organic cations in the prevailing Pb-based organic-inorganic perovskite (HP) light absorbers are the two key issues of concern in the emerging perovskite solar cells… read more here.
Keywords: based vacancy; vacancy ordered; nontoxic titanium; abundant nontoxic ... See more keywords
The effect of oxygen impurities on the stability and structural properties of vacancy-ordered and -disordered ZrCx
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d1ra07768f
Abstract: Theoretical calculations predict several long-range ordered sub-stoichiometric zirconium carbide phases to be stable at low temperature, rather than a random (disordered solution) distribution of vacancies. However, experimental synthesis of vacancy-ordered phases is extremely challenging and… read more here.
Keywords: stability structural; structural properties; vacancy ordered; vacancy ... See more keywords
Twofold rattling mode-induced ultralow thermal conductivity in vacancy-ordered double perovskite Cs2SnI6.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc00258b
Abstract: We report a first-principles study of lattice vibrations and thermal transport in Cs2SnI6, the vacancy-ordered double perovskite. Twofold rattlers of Cs atoms and SnI6 clusters in Cs2SnI6, being different from CsSnI3 with only Cs atom… read more here.
Keywords: twofold rattling; vacancy ordered; ordered double; ultralow thermal ... See more keywords
Coexistence of adjacent vacancy-ordered and eutectic phases in Al–Cu–Ni alloys
Sign Up to like & getrecommendations! Published in 2018 at "Philosophical Magazine Letters"
DOI: 10.1080/09500839.2019.1581381
Abstract: ABSTRACT Copper-mould-cast Al–Cu–Ni alloys show adjacent coexistence of in situ grown ordered and eutectic phases. A bimodal microstructure of α–Al and eutectic α-Al+θ-Al2Cu phases with length-scale hierarchy evolves during solidification. Microstructural analysis through Transmission Electron… read more here.
Keywords: ordered eutectic; eutectic phases; microscopy; vacancy ordered ... See more keywords
Giant photoinduced lattice distortion in oxygen vacancy ordered SrCoO2.5 thin films
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.144201
Abstract: Despite the progress in understanding the formation and migration of oxygen vacancies in strongly correlated complex oxides, few studies focused on the dynamic behaviors of the oxygen vacancies under the transient and nonequilibrium states. Here… read more here.
Keywords: thin films; giant photoinduced; vacancy ordered; oxygen vacancy ... See more keywords