Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study DOI Creative Commons
P. Noudem, D. Fouejio,

C. D. D. Mveme

et al.

Royal Society Open Science, Journal Year: 2024, Volume and Issue: 11(7)

Published: July 1, 2024

Using density functional theory, we have studied the intrinsic properties of styrene. First, determine optimized structures, structural parameters and thermodynamic to make our simulations more realistic experimental results check stability. Second, investigate optoelectronic, electronic global descriptors, transport holes electrons, natural bond orbital analysis, absorption fluorescence properties. Finally, study nonlinear optical (NLO) properties: first- second-order hyperpolarizability, second third-order susceptibilities, hyper-Rayleigh scattering electro-optical Pockel effect, direct current Kerr effects quadratic refractive index. The bandgap energy

Language: Английский

Deciphering a novel mechanism for single-component white light emission: synergistic effects of ESIPT and excimers DOI
Siqi Wang,

Hongyan Mu,

Jialin Liang

et al.

Journal of Materials Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

A novel triple fluorescence emission mechanism combining ESIPT process and excimer formation in single-component white-light generation.

Language: Английский

Citations

0
Design of new first and fifth generation OLED emitters by doping 12,12-dimethyl-7-phenyl-7,12-dihydrobenzo[a]acridine-3-carbonitrile (BACN): DFT study DOI

P.F. Bissi Nyandou,

P. Noudem,

C. D. D. Mveme

et al.

Synthetic Metals, Journal Year: 2025, Volume and Issue: unknown, P. 117879 - 117879

Published: April 1, 2025

Language: Английский

Citations

0
Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study DOI Creative Commons
P. Noudem, D. Fouejio,

C. D. D. Mveme

et al.

Royal Society Open Science, Journal Year: 2024, Volume and Issue: 11(7)

Published: July 1, 2024

Using density functional theory, we have studied the intrinsic properties of styrene. First, determine optimized structures, structural parameters and thermodynamic to make our simulations more realistic experimental results check stability. Second, investigate optoelectronic, electronic global descriptors, transport holes electrons, natural bond orbital analysis, absorption fluorescence properties. Finally, study nonlinear optical (NLO) properties: first- second-order hyperpolarizability, second third-order susceptibilities, hyper-Rayleigh scattering electro-optical Pockel effect, direct current Kerr effects quadratic refractive index. The bandgap energy

Language: Английский

Citations

1