Preparation of PP/2D-Nanosheet Composites Using MoS2/MgCl2- and BN/MgCl2-Bisupported Ziegler–Natta Catalysts

Zhang, Hexin; Shin, Byeong-Gwang; Lee, Dong‐Eun; Yoon, Keun‐Byoung

doi:10.3390/catal10060596

Cited by 15 publications

(6 citation statements)

References 35 publications

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“…All the resonances in the high-frequency regime above 1200 cm −1 consist of transverse optical (T) and longitudinal optical (L) phonon modes. Oscillations around 1200 cm −1 and 1380 cm −1 correspond to bond-bending or T modes, and around 1340 cm −1 and 1420 cm −1 correspond to bond-stretching or L modes [ 72 – 75 ].…”

Section: Resultsmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Aguiar,

Dattani,

Camps

2024

Discover Nano

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For the development of nanofilters and nanosensors, we wish to know the impact of size on their geometric, electronic, and thermal stabilities. Using the semiempirical tight binding method as implemented in the xTB program, we characterized Möbius boron-nitride and carbon-based nanobelts with different sizes and compared them to each other and to normal nanobelts. The calculated properties include the infrared spectra, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap, the chemical potential, and the molecular hardness. The agreement between the peak positions from theoretical infrared spectra compared with experimental ones for all systems validates the methodology that we used. Our findings show that for the boron-nitride-based nanobelts, the calculated properties have an opposite monotonic relationship with the size of the systems, whereas for the carbon-based nanobelts, the properties show the same monotonic relationship for both types of nanobelts. Also, the torsion presented on the Möbius nanobelts, in the case of boron-nitride, induced an inhomogeneous surface distribution for the HOMO orbitals. High-temperature molecular dynamics also allowed us to contrast carbon-based systems with boron-nitride systems at various temperatures. In all cases, the properties vary with the increase in size of the nanobelts, indicating that it is possible to choose the desired values by changing the size and type of the systems. This work has many implications for future studies, for example our results show that carbon-based nanobelts did not break as we increased the temperature, whereas boron-nitride nanobelts had a rupture temperature that varied with their size; this is a meaningful result that can be tested when the use of more accurate simulation methods become practical for such systems in the future.

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Section: Resultsmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Aguiar,

Dattani,

Camps

2024

Discover Nano

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“…The carbonyl band occurs at 1690/1710 cm −1 , C=C in the aromatic rings at 1507/1489 cm −1 , C-O at the range of 1100–1400 cm −1 , and C-C at 990/983 cm −1 . The peak at 1380/1387 cm −1 may be due to the overlapping vibrations of the C-H (deformation) and B-N groups (stretching, in-plane) [ 29 , 30 , 31 ]. A band at 523 cm −1 in the I dye spectrum can be attributed to C-I stretching vibration [ 32 ].…”

Section: Resultsmentioning

confidence: 99%

Chitosan Composites Containing Boron-Dipyrromethene Derivatives for Biomedical Applications

Smolarkiewicz-Wyczachowski

Kaczmarek

Piskorz

et al. 2023

IJMS

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The work is devoted to preparing and characterizing the properties of photosensitive composites, based on chitosan proposed for photodynamic therapy. Chitosan films with a 5% addition of two BODIPY dyes were prepared by solution casting. These dyes are dipyrromethene boron derivatives with N-alkyl phthalimide substituent, differing in the presence of iodine atoms in positions 2 and 6 of the BODIPY core. The spectral properties of the obtained materials have been studied by infrared and UV-vis absorption spectroscopy and fluorescence, both in solutions and in a solid state. Surface properties were investigated using the contact angle measurement. The morphology of the sample has been characterized by Scanning Electron and Atomic Force Microscopy. Particular attention was paid to studying the protein absorption and kinetics of the dye release from the chitosan. Adding BODIPY to the chitosan matrix leads to a slight increase in hydrophilicity, higher structure heterogeneity, and roughness, than pure chitosan. The presence of iodine atoms in the BODIPY structure caused the bathochromic effect, but the emission quantum yield decreased in the composites. It has been found that BODIPY-doped chitosan interacts better with human serum albumin and acidic α-glycoprotein than unmodified chitosan. The release rate of dyes from films immersed in methanol depends on the iodine present in the structure.

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“…Oscillations around 1200 cm -1 and 1380 cm -1 correspond to bond-bending or T modes and around 1340 cm -1 and 1420 cm -1 correspond to bond-stretching or L modes [33][34][35][36]. To some extent, from the energies of these orbitals, it is possible to know how reactive the system is.…”

Section: Resultsmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

C.¹,

N.²,

Camps³

2023

Preprint

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Using the semiempirical tight binding method as implemented in the xTB program, we characterized Möbius boron-nitride and carbon-based nanobelts with different sizes and compared them with normal nanobelts. The calculated properties include the infrared spectra, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap, the chemical potential, and the molecular hardness.The agreement between the peaks positions from theoretical infrared spectra compared with experimental ones for all systems, validate the used methodology. Our findings show that for the boron-nitride based nanobelts, the calculated properties have opposite monotonic relationship with the size of the systems whereas, for the carbon-based, the properties show the same monotonic relationship for both types of nanobelts. Also, the torsion presented on the Möbius nanobelts, in the case of boron-nitride, induced an inhomogeneous surface distribution for the HOMO orbitals. In all cases, the properties vary with the increase in the size of the nanobelts indicating that it is possible to choose the desired values by changing the size and type of the systems.

show abstract

Preparation of PP/2D-Nanosheet Composites Using MoS2/MgCl2- and BN/MgCl2-Bisupported Ziegler–Natta Catalysts

Cited by 15 publications

References 35 publications

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Chitosan Composites Containing Boron-Dipyrromethene Derivatives for Biomedical Applications

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

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