2022
DOI: 10.1039/d1ra08117a
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Silver cluster doped graphyne (GY) with outstanding non-linear optical properties

Abstract: This research study addresses the computational simulations of optical and nonlinear optical (NLO) characteristics of silver (Ag) cluster doped graphyne complexes.

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Cited by 36 publications
(18 citation statements)
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“…The relation between the electrical conductivity and energy gap is given by the following equation. 56 σ α exp(− E G /2 kT ) …”
Section: Resultsmentioning
confidence: 99%
“…The relation between the electrical conductivity and energy gap is given by the following equation. 56 σ α exp(− E G /2 kT ) …”
Section: Resultsmentioning
confidence: 99%
“…The value of μ increases with an increase in the polarity of a molecule, which improves the solubility of any molecule in the respective solvent. 31 A molecule’s solubility is intimately associated with a well-ordered geometry of active layer while constructing a solar device. A smooth, thin-film morphology in OSCs leads to efficient charge transfer and enhances its efficiency.…”
Section: Results and Discussionmentioning
confidence: 99%
“…The molecular solubility in solvents is estimated by the measured electronic density of an organic molecule in a given solvent. The value of μ increases with an increase in the polarity of a molecule, which improves the solubility of any molecule in the respective solvent . A molecule’s solubility is intimately associated with a well-ordered geometry of active layer while constructing a solar device.…”
Section: Results and Discussionmentioning
confidence: 99%
“…Graphdiyne (GDY) is essentially different from the zero bandgap of graphene, which has a tunable direct bandgap of .46-1.39 eV (according to different simulated methods) [18][19][20], indicating that GDY has great application potential in photonic devices. Recently, (super)alkali and gold/silver cluster doped graphdiyne molecules have been predicted to be potentially excellent NLO materials [21][22][23][24][25][26]. Iqbal et al [25,26] investigated the molecular structures and NLO properties of gold/silver cluster doped graphyne; Ag doped two-unit celled graphyne possesses a larger β 0 than Ag doped one-unit celled graphyne.…”
mentioning
confidence: 99%
“…Recently, (super)alkali and gold/silver cluster doped graphdiyne molecules have been predicted to be potentially excellent NLO materials [21][22][23][24][25][26]. Iqbal et al [25,26] investigated the molecular structures and NLO properties of gold/silver cluster doped graphyne; Ag doped two-unit celled graphyne possesses a larger β 0 than Ag doped one-unit celled graphyne. Doping carbon materials with heteroatoms is an efficient method to prepare related carbon-based derivatives, and the atomic doping method can tune some relevant fundamental properties, such as morphology and electronic structure [27].…”
mentioning
confidence: 99%