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Article
Chemistry, Inorganic & Nuclear
Abdessalem Badri et al.
Summary: ACuIn(PO4)(2) compounds (A = K and Rb) were synthesized and characterized. The compounds have a monoclinic crystal structure with A, Cu, In, P, and O sites in the asymmetric unit. The formation of single purity phases was confirmed by XRD analysis. The compounds exhibit interesting optical properties with indirect bandgaps. The electronic band structure and bonding character were analyzed in detail.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Physics, Condensed Matter
Ulku Bayhan et al.
Summary: This study investigated the structural, elastic, anisotropic, electronic, and lattice dynamical properties of ABO3 perovskite compounds using density functional theory. The study found that these compounds are mechanically stable and determined their electronic structure and bandgaps, as well as evaluated their charge transport.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Matthias Wuttig et al.
Summary: Halide perovskites, such as ABX(3) compounds, are promising PV materials with favorable optoelectronic properties governed by the B-X bond. The unique metavalent bonding in halide perovskites, involving the sharing of one p-electron between adjacent atoms, results in pronounced optical absorption and small effective masses of charge carriers. Understanding this bonding mechanism provides insight for the design of efficient PV materials.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Jun Zhang et al.
Summary: The search for novel quasi-1D materials is an important aspect in material science. In this study, the authors report a ferrotoroidic candidate Ba6Cr2S10, which has a theoretical model of spin chain. Their investigation reveals that Ba6Cr2S10 has three ferroic orders and is a rare quasi 1D spin chain ferrotoroidic candidate.
ADVANCED MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Lili Jiang et al.
Summary: In this paper, a first-principles method based on density functional theory was used to study the gas-sensing mechanism of perovskite-type ZnSnO3 to acetone. Experimental results confirmed the potential of ZnSnO3 as a sensitive material for acetone gas sensing.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Engineering, Electrical & Electronic
B. Gopal Krishna et al.
Summary: All-inorganic perovskite nanocrystals have emerged as an alternative for optoelectronic applications, with the ability to modify optical properties through doping of elements such as silver. The study on Ag-CsPbBr3 nanocrystals showed enhancement in photoluminescence and Raman intensity, attributed to the resonance coupling between doped silver and pristine CsPbBr3 nanocrystals.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Physical
Miao Yu et al.
Summary: This study investigates the structural phase transitions of perovskite stannates under hydrostatic pressure using first-principles calculations and the CALYPSO structure search method. The results reveal that CaSnO3 undergoes two reconstructive phase transitions, while SrSnO3 undergoes one and BaSnO3 remains unchanged. Quantum dots fabricated based on the stable phase of CaSnO3 show enhanced optical absorption and nonvolatile memory characteristics, demonstrating their potential applications in memory units and data storage devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Optics
Jalil Ur Rehman et al.
Summary: In this study, the properties of cubic fluoro-perovskite NaMgF3 under different pressures were investigated using density functional theory and the CASTEP code, revealing significant changes in its optical properties with increasing pressure.
Article
Materials Science, Multidisciplinary
Magdalena Rok et al.
Summary: Organic-inorganic perovskite hybrids (OIPHs) have gained significant interest due to their facile synthesis, flexibility, and tunability. This study reports the synthesis and characterization of a novel ABX(3)-type ferroelectric crystal AZECdCl(3) with enhanced electric permittivity and excellent ferroelectric properties. The crystal also exhibits ferroelastic properties and high contrast second-harmonic generation (SHG) switching in the IV <-> III phase transition.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
G. T. Kasun Kalhara Gunasooriya et al.
Summary: This study presents a combined theoretical-experimental approach to discover and design transition metal antimonates as electrocatalytic materials for the oxygen reduction reaction. The results show that these catalysts exhibit high activity and stability, making them potential candidates for fuel cell devices.
Article
Chemistry, Physical
Animesh Bhui et al.
Summary: This study demonstrates the existence of n-type thermoelectric conduction and ultra-low lattice thermal conductivity in an air-stable vacancy-ordered double perovskite Cs2SnI6. The presence of low-frequency localized optical modes and the smooth elastic lattice with chemical bonding hierarchy contribute to the low measured sound velocity and low lattice thermal conductivity. The coupling between low-energy anharmonic optical modes and heat-carrying acoustic phonons limits the phonon group velocity and lifetime, resulting in intrinsically ultra-low lattice thermal conductivity in n-type Cs2SnI6.
CHEMISTRY OF MATERIALS
(2022)
Article
Environmental Sciences
Quanyun Ye et al.
Summary: This study investigated the physicochemical and photocatalytic properties of two types of stannate perovskite oxides. The results showed that MgSnO3 exhibited better photocatalytic performance than CaSnO3. MgSnO3 effectively degraded DMP and DEP through the involvement of superoxide ions.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2022)
Review
Materials Science, Coatings & Films
Anup V. Sanchela et al.
Summary: The importance of transparent oxide semiconductors is increasing due to their unique properties of high electrical conductivity and optical transparency. This review discusses recent research progress on transparent ASnO(3)-based thin films and thin film transistors (TFT), exploring their underlying materials physics and investigating the effects of thin film preparation conditions on carrier mobility. The review also clarifies the operating mechanism of solid solution-based TFTs and demonstrates the potential of doped TFTs for biological applications. Furthermore, it highlights the control of optoelectronic properties by changing the A-site in ASnO(3).
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2022)
Article
Physics, Condensed Matter
Shafqat Hayat et al.
Summary: In this study, the structural, electronic, optical, vibrational, thermodynamic, and mechanical properties of beryllium-based perovskite-type halides KBeBr3, RbBeBr3, and CsBeBr3 in triclinic phase were investigated. The results show that these materials have potential applications in optoelectronic devices.
SOLID STATE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Smarak Rath et al.
Summary: The use of XGBOOST classifier has been utilized to classify ABX(3) inorganic perovskites into direct and indirect band gap materials, and the results demonstrate that machine learning can effectively discover novel direct band gap perovskites. SHAP analysis reveals that the absence of transition metals and elements belonging to specific groups increases the probability of perovskites having a direct band gap.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Energy & Fuels
Muhammad Usman et al.
Summary: This study investigates the physical properties of KGaH3 and LiGaH3, including lattice parameters, band gap, magnetic behavior, mechanical properties, and optical properties. The compounds are found to be stable cubic metallic materials with antiferromagnetic behavior and anisotropic properties. LiGaH3 exhibits better mechanical and hydrogen storage properties, making it a preferred material for hydrogen storage applications.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Crystallography
Kholood A. Dahlous et al.
Summary: The crystal structure of a new penta-coordinated Cd(II) complex, [Cd(BPMT)Br-2], was presented and its biological activities were evaluated. The complex exhibited better anticancer and antibacterial activities compared to the free BPMT ligand, with the highest anticancer activity against lung carcinoma (A-549).
Editorial Material
Chemistry, Physical
Lujia Xu et al.
Summary: We report a highly efficient monolithic perovskite/silicon tandem single-cell solar module, achieving a short-circuit current density of 18.6 mA/cm2 through enhanced optical design.
ACS ENERGY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
M. H. K. Rubel et al.
Summary: This study investigates the physical properties of CaPd3Ti4O12 (CPTO) and CaPd3V4O12 (CPVO) quadruple perovskites, including their structural stability, mechanical and elastic behaviors, band structures, chemical bonding nature, optical and thermodynamic properties. The results suggest that these compounds have potential thermoelectric properties.
RESULTS IN PHYSICS
(2022)
Article
Chemistry, Physical
Abhijeet J. Kale et al.
Summary: This article introduces the research progress and characteristics of perovskites and their alternative, halide double perovskites. The study found that halide double perovskites have a wide range of band gaps and have the potential to be used in solar cells and thermoelectric applications.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Jing Zhao et al.
Summary: This paper presents a Sr2SnO4 electrocatalyst with a Ruddlesden-Popper perovskite structure as a promising catalyst for the electrochemical CO2 reduction reaction. The Sr2SnO4 electrocatalyst shows high selectivity and stability for the formation of formate. The optimization of the active sites and the stability of the crystalline structure contribute to the excellent performance of the catalyst.
Review
Materials Science, Multidisciplinary
Pratik V. Shinde et al.
Summary: This article provides a brief overview of the research progress, current status, and future development of metal halide perovskite-based gas sensors, including the material properties, synthesis methods, sensing mechanisms, and recent advancements.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Liping Liao et al.
Summary: In this study, a broadband photodetector covering X-ray to visible range was successfully fabricated using a chemical vapor transport method to synthesize HgPSe3 single crystal. The detector exhibited high sensitivity under X-ray and excellent optoelectronic performance in the visible light range.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Zhangyue Wu et al.
Summary: In this study, a high-performance narrow-band green-emitting phosphor was synthesized and its optical and electronic properties were investigated. By incorporating the phosphor into a wLED device, wide color-gamut display was achieved. The findings of this research have important theoretical and practical implications.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Zuoxiang Xie et al.
Summary: Organic-inorganic hybrid halide perovskite materials have shown great potential for thermoelectric applications due to their low thermal conductivity and large Seebeck effect. High-quality single crystals with low trap density are prepared using a modified solvent engineering method. The reaction between the crystal and metal electrode affects the doping effect, resulting in different conductive characteristics. By optimizing devices, high Seebeck voltage and output power can be achieved.
ADVANCED ELECTRONIC MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Jiyue Wu et al.
Summary: Progress has been made in developing high-performance lead-free bulk ceramics with high dielectric permittivity, low dielectric loss, and stable performance over a wide temperature range. These materials exhibit excellent stability of dielectric properties under high DC bias voltage, making them promising candidates for next-generation high-performance capacitors.
MATERIALS & DESIGN
(2021)
Article
Materials Science, Ceramics
Yunzhen Jiang et al.
Summary: In this study, Ba8CoNb6O24 was doped with Sb5+ on Nb5+ sites, achieving near-zero τ(f), modest ε(r), and significantly reduced cost of ceramics. The lower polarizability of Sb5+ compared to Nb5+ led to smaller ε(r) and therefore τ(f) values.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Optics
Asif Ilyas et al.
Summary: First-principles method was employed to investigate the structural, electronic, magnetic, and optical properties of CsXO3 compounds, revealing metallic character and ferromagnetic nature of these compounds. Optical spectra including dielectric function, refractive index, reflectivity, absorption coefficient, and optical conductivity were calculated in the range of 0-35 eV.
Article
Multidisciplinary Sciences
Nhu Quynh Diep et al.
Summary: This study used diamond anvil cells to investigate the structural phase transition of the free-standing screw-dislocation-driven GaSe thin film synthesized by molecular beam epitaxy under hydrostatic pressure. The results showed unique structural phase transition behavior in the SDD-GaSe film, attributed to the screw dislocation-assisted mechanism. Additionally, a higher bulk modulus and incompressibility along the c-axis were observed in the SDD-GaSe film compared to the bulk counterpart. The presence of dense screw dislocation cores in the SDD-GaSe lattice structure was suggested to play a crucial role in these novel phenomena.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Mohammed Ezzeldien et al.
Summary: This study tested the effectiveness of the newly developed DFT-1/2 functional in calculating the electronic and optical properties of inorganic lead halide perovskites CsPbBr3, showing promising bandgap matching performance.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Hamza Shaili et al.
Summary: This paper presents a comprehensive study on the properties of spray-coated CaSnO3 thin films on Si(100) substrates, as well as the effects of Nd3+ doping and substrate on film characteristics. The research reveals that increasing doping levels enhance the conductivity of the films and grain size, leading to structural changes in the crystals.
Review
Chemistry, Multidisciplinary
Amrita Dey et al.
Summary: Metal-halide perovskites have emerged as promising materials with exciting properties and great potential for applications in fields like photovoltaics and optoelectronics. Researchers have made significant progress in the synthesis, properties, and shape-controlled synthesis of perovskite nanocrystals.
Article
Chemistry, Multidisciplinary
Jiajun Luo et al.
Summary: This study introduces a lead-free perovskite, CsEuBr3, which displays bright blue exciton emission at 448 nm with color coordinates of (0.15, 0.04) originating from specific transitions. It demonstrates high performance characteristics including short excited-state lifetime, excellent exciton diffusion diffusivity, and high quantum yield. This material is used to construct deep-blue PeLEDs with high efficiency and longevity, aiming to inspire further research in lanthanide-based perovskites for next-generation LED applications.
ADVANCED MATERIALS
(2021)
Review
Energy & Fuels
Ganbaatar Tumen-Ulzii et al.
Summary: Organic-inorganic metal halide perovskite solar cells exhibit high PCE and long-term stability issues, especially at high temperatures. Research has significantly improved the stability of PSCs, but further investigation and exploration of new HTL materials are still needed.
Article
Chemistry, Physical
Ishtihadah Islam et al.
Summary: This article presents the synthesis of BaSn1-xMnxO3 (x = 0.0-0.3) nanostructures via solid state reaction, investigating their structural, morphological, chemical, and dielectric properties. Addition of heavy transition metals was used to enhance the properties of the synthesized samples, resulting in improved blue and ultraviolet light activity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Mengfei Zhang et al.
Summary: This review highlights the current research status and future challenges of perovskite oxides as catalysts in the global energy crisis, focusing on various design strategies to improve the efficiency of electrochemical devices.
Article
Chemistry, Multidisciplinary
Neha Tewari et al.
Summary: The study introduces a lead-free all-inorganic bismuth-based perovskite halide as a photoelectrode for energy harvesting in lithium-ion batteries without the need for external load. The performance of the battery using different current collectors demonstrates the electrode's various functions, and further exploration in anode structure and design shows potential for more efficient photobatteries.
Review
Chemistry, Physical
Antonio Gaetano Ricciardulli et al.
Summary: In recent years, the library of 2D materials has been enriched with novel crystal architectures endowed with diverse functionalities. Perovskites, including metal-halide and oxide systems, provide access to a myriad of properties through molecular engineering. By reducing the dimensionality of perovskites to two-dimensional monolayers, new physics and next-generation multifunctional devices are expected to be revealed.
Review
Chemistry, Physical
Dongtao Liu et al.
Summary: Halide perovskites are a promising candidate for clean-energy technologies due to their low cost and excellent semiconductor properties, but challenges with device efficiency and stability persist. Recent advancements have tackled the issue of strain in perovskites, showing improvements in both efficiency and stability of devices. Further research is needed to fully understand strain in halide perovskites and continue enhancing their performance.
Article
Materials Science, Multidisciplinary
De-Yuan Hu et al.
Summary: The study found that Cs2SeI6 is the best-performing lead-free perovskite derivative, with suitable band gap, small carrier mass, and good light absorption properties. It can be used as a potential photoelectric absorption layer material for solar cells. Cs2SeCl6 and Cs2SeBr6 also have the potential for developing other optoelectronic devices.
Article
Multidisciplinary Sciences
Xinyuan Du et al.
Summary: Lead halide perovskites have shown promising applications in optoacoustic transducers with improved thermal properties and high performance. By optimizing the thermal properties of perovskites, the researchers achieved record values for bandwidth and conversion efficiency in optoacoustic transducers.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Ali Rayes et al.
Summary: Two new organic-inorganic salts have been synthesized and characterized by X-ray diffraction and thermal analysis, with crystal packing driven by various non-covalent intermolecular forces and water molecules acting as assistants in hydrates. Additionally, one compound undergoes a thermally-triggered single-crystal-to-single-crystal transformation upon dehydration, forming a supramolecular solid compound, and both salts exhibit outstanding catalytic properties in the acetalization process.
Article
Chemistry, Physical
Jin Wook Yoo et al.
Summary: Efficiency of >25% has been achieved in small-area perovskite solar cells, but large-area devices face challenges in achieving similar uniform coatings and defect control. By utilizing air-knife-assisted bar-coating technique, dense and uniform perovskite films were successfully deposited, with mini-modules reaching over 20% efficiency.
Article
Chemistry, Multidisciplinary
Hamza Shaili et al.
Summary: This study investigated the microstructural and optoelectronic properties of pure and Pr-doped SrSnO3 thin films synthesized by a two-step simple chemical solution deposition route. The results showed that Pr doping can enhance optical absorption and widen the bandgap of the samples.
Article
Chemistry, Multidisciplinary
Anurag Krishna et al.
Summary: A molecular-level interface engineering strategy using a multifunctional ligand 2,5-thiophenedicarboxylic acid is presented to enhance the long-term operational and thermal stability of perovskite solar cells (PSCs). The solar cells achieved high operational stability and stabilized power conversion efficiency over 23% after prolonged testing, with insights into the modulation of grain boundaries, local density of states, surface bandgap, and interfacial recombination. Chemical analysis revealed that molecular passivation suppresses interfacial ion diffusion and inhibits irreversible degradation of perovskite, suggesting potential for expedited development of stable PSCs.
ENERGY & ENVIRONMENTAL SCIENCE
(2021)
Review
Chemistry, Physical
Hongxia Wang et al.
Summary: Electrolysis of water for hydrogen and oxygen production is crucial for storing renewable energy in chemical fuels. The efficiency is often limited by the oxygen evolution reaction kinetics, requiring efficient electrocatalysts. Understanding the electronic structure and its relationship with catalytic activity has led to strategies like doping and defect engineering to enhance activity. Challenges and future perspectives in the field are also discussed.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Review
Chemistry, Multidisciplinary
Ligang Xu et al.
Summary: Lead-based perovskite solar cells have excellent properties but the presence of lead hinders market prospects. Sn perovskites as alternatives are gaining attention, with inverted Sn-based PSCs showing cost-effectiveness and competitive efficiency, though challenges remain.
ENERGY & ENVIRONMENTAL SCIENCE
(2021)
Review
Chemistry, Multidisciplinary
Jiupeng Cao et al.
Summary: Organic-inorganic halide perovskite solar cells have shown high efficiency, but many contain toxic lead. Tin-based perovskites are a promising alternative, with the highest efficiency over 13%. This review discusses device design, physical properties, challenges, film preparation techniques, and chemical substitutions to improve the optoelectronic properties of tin-based perovskites and reduce lead content for high-performance and environmentally friendly PSCs.
ENERGY & ENVIRONMENTAL SCIENCE
(2021)
Article
Chemistry, Inorganic & Nuclear
Lais Chantelle et al.
INORGANIC CHEMISTRY
(2020)
Article
Physics, Condensed Matter
Muhammad Atif Sattar et al.
PHYSICA B-CONDENSED MATTER
(2020)
Review
Chemistry, Multidisciplinary
Ajay Kumar Jena et al.
Article
Chemistry, Multidisciplinary
Guang Song et al.
Article
Chemistry, Physical
Peng Zhang et al.
JOURNAL OF POWER SOURCES
(2014)
Editorial Material
Materials Science, Multidisciplinary
Anton R. Chakhmouradian et al.
PHYSICS AND CHEMISTRY OF MINERALS
(2014)
Review
Physics, Condensed Matter
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2009)
Article
Chemistry, Multidisciplinary
Akihiro Kojima et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2009)
Article
Physics, Condensed Matter
MD Segall et al.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2002)
Review
Physics, Multidisciplinary
S Baroni et al.
REVIEWS OF MODERN PHYSICS
(2001)
