D 3h Al3N: a novel promising ligand for coordination chemistry

Li, Nan; Luo, Qian

doi:10.1007/s00214-011-0986-9

Cited by 3 publications

(3 citation statements)

References 45 publications

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“…Excitation spectra were calculated using DFT-optimized configurations with the CAM-B3LYP (long-range corrected effect) functional and the same basis sets [12,13].…”

Section: Resultsmentioning

confidence: 99%

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene

Bouzari¹,

Malekfar²,

Matin³

2023

Graphene - A Wonder Material for Scientists and Engineers

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In this study, the Raman and the surface-enhanced Raman scattering (SERS) spectra of TiO2 adsorbed on gold/graphene cluster is explained by density functional theory (DFT) calculations. we concentrated on the interaction between TiO2, Au, and graphene, in which graphene is presented as a substrate component in SERS. Results indicate that changing graphene type including pure graphene and B/N-doped graphene enables modifications of interaction between molecule, gold, and graphene cluster. The Raman and SERS spectra of compounds are compared considering the intensity of spectra, which demonstrate the intensity dependence on graphene type which is due to the effects of chemical and electromagnetic properties.

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“…Excitation spectra were calculated using DFT-optimized configurations with the CAM-B3LYP (long-range corrected effect) functional and the same basis sets [12,13].…”

Section: Resultsmentioning

confidence: 99%

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene

Bouzari¹,

Malekfar²,

Matin³

2023

Graphene - A Wonder Material for Scientists and Engineers

View full text Add to dashboard Cite

show abstract

“…Excitation spectra were calculated using optimized configurations by TDDFT method with CAM‐B3LYP functional (considered long‐range corrected effect) and same basis sets. The broaden of excitation spectra was performed with Multiwfn program …”

Section: Theoretical Calculationsmentioning

confidence: 99%

“…The broaden of excitation spectra was performed with Multiwfn program. [33,34] The differential Raman scattering cross section was estimated [35] :…”

Section: Theoretical Calculationsmentioning

confidence: 99%

A DFT study on graphene‐based surface‐enhanced Raman spectroscopy of Benzenedithiol adsorbed on gold/graphene

You

Yang

Shu

et al. 2019

J Raman Spectroscopy

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In this study, a detailed analysis on the surface‐enhanced Raman scattering of 1,4‐Benzenedithiol adsorbed on gold/graphene cluster is presented by density functional theory calculations. Results indicate that changing graphene type including perfect graphene, monovacancy graphene, B/N‐doped grapheme, and graphene oxide enables modulation of interaction between molecule, gold, and graphene cluster. Calculated Raman spectra of surface complexes are discussed considering chemical enhancement for graphene‐based surface‐enhanced Raman scattering study, which shows dependence on graphene types, which is related to several influence factors from electronic structure to excitation properties.

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A DFT study on surface-enhanced Raman spectroscopy of aromatic dithiol derivatives adsorbed on gold nanojunctions

You

Lang

Huang

et al. 2018

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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D 3h Al3N: a novel promising ligand for coordination chemistry

Cited by 3 publications

References 45 publications

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene

A DFT study on graphene‐based surface‐enhanced Raman spectroscopy of Benzenedithiol adsorbed on gold/graphene

A DFT study on surface-enhanced Raman spectroscopy of aromatic dithiol derivatives adsorbed on gold nanojunctions

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D 3h Al3N: a novel promising ligand for coordination chemistry

Cited by 3 publications

References 45 publications

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO2 Adsorbed Gold/Graphene

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO2 Adsorbed Gold/Graphene

A DFT study on graphene‐based surface‐enhanced Raman spectroscopy of Benzenedithiol adsorbed on gold/graphene

A DFT study on surface-enhanced Raman spectroscopy of aromatic dithiol derivatives adsorbed on gold nanojunctions

Contact Info

Product

Resources

About

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene

A DFT Investigation on Different Graphene Based Substrates on SERS: A Case Study of TiO₂ Adsorbed Gold/Graphene