Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom

Article Biochemical Research Methods

Enhancement of absorption capacity, optical and non-linear optical properties of graphene oxide nanosheet

Crevain Souop Tala Foadin et al.

Summary: The absorption capacity, optoelectronic, and non-linear optical properties of graphene oxide nanosheet (GON) and its doped derivatives with aluminum (-Al) atoms were studied using density functional theory (DFT). The research proposed various molecular design schemes based on push-pull models of GON to enhance NLO properties and decrease the band gap value.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2022)

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Article Biochemistry & Molecular Biology

DFT study of the influence of impurities on the structural, electronic, optoelectronic, and nonlinear optical properties of graphene nanosheet functionalized by the carboxyl group -COOH

Crevain Souop Tala Foadin et al.

JOURNAL OF MOLECULAR MODELING (2020)

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Article Materials Science, Multidisciplinary

Structural and vibrational study of graphene oxide via coronene based models: theoretical and experimental results

Joao Paulo Almeida de Mendonca et al.

MATERIALS RESEARCH EXPRESS (2016)

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Article Engineering, Environmental

Adsorption and Desorption of U(VI) on Functionalized Graphene Oxides: A Combined Experimental and Theoretical Study

Yubing Sun et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2015)

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Article Chemistry, Physical

Application of graphene oxides for the removal of Pb(II) ions from aqueous solutions: Experimental and DFT calculation

Xiangxue Wang et al.

JOURNAL OF MOLECULAR LIQUIDS (2015)

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Article Thermodynamics

Adsorption of Au(III), Pd(II), and Pt(IV) from Aqueous Solution onto Graphene Oxide

Li Liu et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2013)

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Article Chemistry, Multidisciplinary

cclib: A library for package-independent computational chemistry algorithms

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JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

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Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom

Related references

Enhancement of absorption capacity, optical and non-linear optical properties of graphene oxide nanosheet

DFT study of the influence of impurities on the structural, electronic, optoelectronic, and nonlinear optical properties of graphene nanosheet functionalized by the carboxyl group -COOH

Structural and vibrational study of graphene oxide via coronene based models: theoretical and experimental results

Adsorption and Desorption of U(VI) on Functionalized Graphene Oxides: A Combined Experimental and Theoretical Study

Application of graphene oxides for the removal of Pb(II) ions from aqueous solutions: Experimental and DFT calculation

Adsorption of Au(III), Pd(II), and Pt(IV) from Aqueous Solution onto Graphene Oxide

cclib: A library for package-independent computational chemistry algorithms

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