DFT computation, Hirshfeld surfaces analysis, non-linear optical and spectroscopic investigations of a novel non-centrosymmetric organic –inorganic hybrid material [(CH3CH2)4N]HSeO4(H2SeO4)2

Dhouib, Ikram; Abid, Dhouha; Ouasri, Ali; Guionneau, Philippe; Elaoud, Zakaria

doi:10.1016/j.jssc.2021.122134

Cited by 7 publications

(6 citation statements)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Thus, the 3D framework results in an unprecedented trinodal (4,3)-connected topology and a Schlafli symbol of (3 12 4 18 5 6 ) (3 9 4 16 5 3 ). 49,50 As presented in Figure 3, the pore size of the spheres is on the order of 12.750 Å.…”

Section: Resultsmentioning

confidence: 99%

“…Solid-state room-temperature diffuse reflectance measurements were carried out over a 250–800 nm range. The data were converted to absorption spectra using the Kubelka–Munk (KM) remission function, , F false( R false) = α / S = false( ( 1 − R ) 2 false) / 2 R …”

Section: Resultsmentioning

confidence: 99%

“…According to the Tanabe–Sugano diagram, three spin-allowed peaks are anticipated. The first bond at 539 nm is the transition from the 4 A 2 (F) ground term to 4 T 2 (F), the second bond at around 576 nm corresponds to the transitions from the 4 A 2 (F) ground term to 4 T 1 (F), and the last bond at 633 nm corresponds to the transition from the 4 A 2 (F) ground term to 4 T 1 (P). ,− …”

Section: Resultsmentioning

confidence: 99%

“…From a topological approach, each d -cam and HTrz ligand links three cobalt centers that can be considered as three-connecting nodes. Thus, the 3D framework results in an unprecedented trinodal (4,3)-connected topology and a Schläfli symbol of (3 12 4 18 5 6 ) (3 9 4 16 5 3 ). , As presented in Figure , the pore size of the spheres is on the order of 12.750 Å.…”

Section: Resultsmentioning

confidence: 99%

See 3 more Smart Citations

Exploring the Optical and Energetic Properties of a Co(II)-Based Mixed Ligand MOF

Abid,

Mjejri,

Jaballi

et al. 2024

Inorg. Chem.

Self Cite

View full text Add to dashboard Cite

Due to their remarkable properties, including remarkable porosity and extensive surface area, metal−organic frameworks (MOFs) are being investigated for various applications. Herein, we report the first Co(II)-based mixed ligand MOF, formulated Co 4 (HTrz) 2 (D-cam) 2.5 (μ−OH) 3 . Its 3D structure framework is composed of helical chains {[Co 4 (μ 3 -HTrz) 4 ] 8+ } n connected by D-camphorate ligand building blocks and featured as an extended structure in an AB−AB fashion. The investigated compound displays a wide absorption range across the visible spectrum, characterized by an optical gap energy of 3.7 eV, indicating its semiconducting nature and efficient sunlight absorption capabilities across various wavelengths. The electrochemical performance demonstrated an excellent reversibility, cyclability, structural stability, as well as a specific capacity of up to 100 cycles at a scan rate of 0.1 mV•s −1 and a current density of 50 mA•g −1 . Thus, it showcases its ability to retain the capacity over numerous charge−discharge cycles. Additionally, the investigated sample displayed an impressive rate capability during the Liion charge/discharge process. Therefore, the material's remarkable electrochemical properties can be ascribed to the synergistic effects of its large specific surface area of 348.294 m 2 •g −1 and well-defined pore size distribution of 20.448 Å, making it a promising candidate for high-performance Li-ion batteries.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Exploring the Optical and Energetic Properties of a Co(II)-Based Mixed Ligand MOF

Abid,

Mjejri,

Jaballi

et al. 2024

Inorg. Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

“…The unique characteristics of halide-based hybrid materials have sparked considerable interest in their potential in various fields. Their remarkable properties have paved the way for advancements in electronics and other technological domains and opened new frontiers in light detectors, quantum computing, and memory devices. − Aside from these fascinating electrical characteristics, these crystalline materials have exhibited compelling optical properties, expanding the range of potential applications, especially in optoelectronics and photovoltaic solar cells. − By taking advantage of the physical properties of the different entities that form hybrid materials, researchers are exploring new frontiers in the development of advanced systems. − …”

Section: Introductionmentioning

confidence: 99%

A Nickel-Based Semiconductor Hybrid Material with Significant Dielectric Constant for Electronic Capacitors

Abid,

Mjejri,

Oueslati

et al. 2024

ACS Omega

Self Cite

View full text Add to dashboard Cite

A novel semiconducting Ni(II)-based hybrid material with the formula (C 7 H 12 N 2 ) NiCl 4 , which exhibits interesting optical and electrical properties, is reported. The crystal structure was investigated using SCXRD, whereas physical properties were studied by means of thermal analysis, Ft-Infrared, optical, and electrical measurements. Its crystal packing is formed through organic rings surrounded by inorganic [NiCl 4 ] 2− tetrahedral and stacked along the a-crystallographic axis. This arrangement is stabilized by a dense network of intermolecular hydrogen bonds. The investigated compound displayed a wide absorption range across the visible spectrum, characterized by an optical gap energy of 2.64 eV, indicating its semiconducting nature and efficient sunlight absorption capabilities across various wavelengths. Such features are of utmost importance in achieving a high energy conversion efficiency in solar cell applications. Further analyses of the thermal behavior using differential scanning calorimetry revealed a single-phase transition occurring at around 413 K, which was further confirmed through electrical measurements. A deep investigation of the electric and dielectric performances demonstrated a significant dielectric constant (ε′ ∼ 10 4 ) at low frequencies and low dielectric loss at high frequencies. Thus, it highlights its exceptional dielectric potential, particularly in applications related to electronic capacitors.

show abstract

Two binuclear copper(II) complexes incorporated with 3-phenylpentanedioic acid: crystal structure and bioactivity characteristics

Wang,

Feng,

Zhang

et al. 2023

Res Chem Intermed

View full text Add to dashboard Cite

DFT computation, Hirshfeld surfaces analysis, non-linear optical and spectroscopic investigations of a novel non-centrosymmetric organic –inorganic hybrid material [(CH3CH2)4N]HSeO4(H2SeO4)2

Cited by 7 publications

References 29 publications

Exploring the Optical and Energetic Properties of a Co(II)-Based Mixed Ligand MOF

Exploring the Optical and Energetic Properties of a Co(II)-Based Mixed Ligand MOF

A Nickel-Based Semiconductor Hybrid Material with Significant Dielectric Constant for Electronic Capacitors

Two binuclear copper(II) complexes incorporated with 3-phenylpentanedioic acid: crystal structure and bioactivity characteristics

Contact Info

Product

Resources

About