Theoretical investigations of structural, electronic, optical and thermoelectric properties of oxide halide perovskite ACoO3 (A=Nd, Pr or La)

Optoelectronic and photovoltaic properties of Cs 2 AgBiX 6 (X = Br, Cl, or I) halide double perovskite for solar cells: Insight from density functional theory

“…The first exploration of this unique family of perovskites materials was in 1960, whereas their synthesis using different combinations of A, B 0 , and B 00 cations proved the stability and the toxicity of their chemical components. 11,12 Recently, many efforts have been reported within both theoretical and experimental studies with the aim of characterizing the double perovskite Cs 2 AgBiX 6 compound [13][14][15][16][17] to explore the possibility of using this class of materials on solar cells [18][19][20] and photocatalyst. 21,22 Thus, synthesized in a thin film for lead-free inverted planar heterojunction solar cell, realized with anti-solvent dropping technology, is discussed by Gao et al, the obtained result shows power conversion efficiency of 2.23% with FF = 69.2%.…”

“…Thus, multiply the A into A 2 , B replaced by two cations B′ and B″, and X doubled into to X 6 , leading to the formation of double perovskites with a general formula A 2 B′B″X 6 , where A cations are surrounded by a network of B′X 6 and B″X 6 octahedra. The first exploration of this unique family of perovskites materials was in 1960, whereas their synthesis using different combinations of A, B′, and B″ cations proved the stability and the toxicity of their chemical components 11,12 . Recently, many efforts have been reported within both theoretical and experimental studies with the aim of characterizing the double perovskite Cs 2 AgBiX 6 compound 13‐17 to explore the possibility of using this class of materials on solar cells 18‐20 and photocatalyst 21,22 .…”

Stepping Up the Kinetics of Li–O2 Batteries by Shrinking Down the Li2O2 Granules through Concertedly Enhanced Catalytic Activity and Photoactivity of Se-Doped LaCoO3

“…Previous studies have shown that LCO is semiconductive, exhibiting band gap ( E g ) values ranging from 1.43 to 2.72 eV that are dependent on the synthetic protocols adopted. − In the following discussion we will show that Se doping enables to further ameliorate the band structure of LCO for boosting both the ORR and OER processes in LOBs under light illumination. First, UV–vis diffuse-reflectance spectrum (DRS) was used to quantify the band gaps of the as-prepared LCO samples (Figure S14 and S15).…”

Novel Design of Perovskite-Structured Neodymium Cobalt Oxide Nanoparticle-Embedded Graphene Oxide Nanocomposites as Efficient Active Materials of Energy Storage Devices

“…RE perovskite attracts remarkable attention due to the intercalation from both anion and cations as well as the reversible Faradaic redox reaction at the electrode surface . Among them, neodymium cobalt oxide (NCO) has been widely investigated due to its distinguished physical and chemical properties, electronic transport, and magnetic behaviors . NCO has been found to be a promising electrode material in various applications including solid oxide fuel cells (SOFCs), photocatalysts, and sensors .…”

“…22 Among them, neodymium cobalt oxide (NCO) has been widely investigated due to its distinguished physical and chemical properties, electronic transport, and magnetic behaviors. 23 NCO has been found to be a promising electrode material in various applications including solid oxide fuel cells (SOFCs), 24 photocatalysts, 25 and sensors. 26 Besides, cobalt-based materials have significant potential in energy storage applications due to their mixed proton/electron conductivity, multiple oxidation states (Co 3+ /Co 2+ ), high redox ability, high thermal and structural stability, and natural abundance.…”