Surface enhanced Raman scattering of melamine on silver substrate: An experimental and DFT study

An, Nguyen Thi Thai; Dao, Duy Quang; Nam, Pham Cam; Tran, Huyen T. T.

doi:10.1016/j.saa.2016.06.043

Cited by 32 publications

(11 citation statements)

References 17 publications

(31 reference statements)

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“…24−26 Raman spectra show the blue-shift from 678 to 689 cm −1 (Figure S4), which is attributed to the ring breathing vibration of MA, supporting the interaction of MA with LAGP. 27 Furthermore, X-ray photoelectron spectroscopy (XPS) of LAGP, MA, and MA@LAGP is performed to reveal the chemical changes. The C 1s binding energy at 284.8 eV associated with carbon black (C−C) is used for peak calibration.…”

Section: Stable Surface Modification Of Lagpmentioning

confidence: 99%

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

Liang

Chen

et al. 2022

ACS Appl. Mater. Interfaces

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With the advantages of organic and inorganic solid electrolytes, composite electrolytes are a promising option for use in all-solid-state Li-metal batteries. However, the considerable disparity in interfacial energy between ceramic and polymer electrolytes results in poor solid−solid contacts and the internal creation of a space charge layer in the composite electrolyte. Here, we report a melamine (MA) transition layer for the sake of strengthening the bond between Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) and poly(ethylene oxide) (PEO) to enhance physical and electrochemical properties. The MA is absorbed on LAGP by electron transfer from LAGP to MA's triazine ring, resulting in intimate contact and good mechanical stability. Simultaneously, the MA stabilizes the Li-salt anion, reduces its decomposition reactions at the interface between PEO and LAGP in the electrolyte, and promotes free Li + dissociation, resulting in superior ionic conductivity and interfacial stability. Thus, the solid electrolyte film enables symmetric Li/Li batteries to achieve steady Li plating/stripping for more than 1300 h at a current density of 0.25 mA cm −2 . The all-solid-state Li|PEO−MA@LAGP|LFP cell exhibits improved cycling stability. The Li/PEO−MA@LAGP/ NCM523 cell shows a cycling life that is a factor of 5 times greater than that of a cell based on PEO−LAGP.

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Section: Stable Surface Modification Of Lagpmentioning

confidence: 99%

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

Liang

Chen

et al. 2022

ACS Appl. Mater. Interfaces

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“…Recently, An et al investigated surface-enhanced Raman scattering of melamine (C 3 H 6 N 6 ) on silver substrate using experimental and DFT studies with the B3LYP/6-31G(d) method. [11] Silver cluster models including Ag 4 , Ag 8 , Ag 10 and Ag 20 were used to reproduce silver substrate. It was found that the small size clusters like Ag 4 can be an effective predictor for Raman and SERS spectra of melamine.…”

Section: Introductionmentioning

confidence: 99%

SERS chemical enhancement by copper ‐ nanostructures: Theoretical study of Thiram pesticide adsorbed on Cu₂₀ cluster

Truong

Chinh

Nhung

et al. 2021

Vietnam Journal of Chemistry

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Surface‐enhanced Raman spectroscopy (SERS), a surface‐sensitive technique, allows the practicability of detecting chemical compounds in ultra‐low concentration. In this work, a chemical enhancement mechanism of SER process of Thiram pesticide adsorbed on copper nanomaterial surface was proposed based on density functional theory (DFT) approaches. Structural and electronic properties of Thiram and Thiram‐Cu20 complexes were optimized using PBE method with LanL2DZ basis set for copper atoms and cc‐pVDZ basis set for the non‐metal atoms. In the most stable adsorption configuration, Thiram interacted with Cu20 cluster via two S(sp2) atoms. The main peaks on normal Raman spectrum of Thiram were characterized at 371, 576, 1414 and 1456 cm‐1 responsible for the stretching vibrations of C–S, C=S, S–C–S and C–N groups, respectively. Otherwise, the main peaks of Thiram‐Cu20 SERS spectrum were found at 534, 874, 982, 1398 and 1526 cm‐1 corresponding to the stretching vibrations of S–S, C‐S, S–C–S, C–N and CH3–N bonds, respectively. The SERS chemical enhancement of Thiram by Cu20 cluster was about 2 and 6 times stronger than those obtained from Ag20 and Au20 cluster, respectively. The chemical enhancement mechanism was also explained by analyzing HOMO and LUMO energies gap and density of states.

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“…Additionally, we mutually compare the progress and output of the reaction between Ag s + -tpy species and Fe 2+ and Zn 2+ cations, respectively, and we test the ability of FA to distinguish a contribution of the minority and/or transient spectral component to the SERS spectral set. Finally, we use the approach successfully applied previously to elucidation of the structure of surface complexes on Ag and Au NP surfaces − for elucidation of the actual structure of the Ag s + -tpy surface species. We compared its SERS spectra with the Raman spectra generated by DFT calculations for several proposed model structures, as well as with the Raman spectra of the Ag(I)-tpy complex, for which the actual bonding of tridentate tpy to the Ag (I) central atom(s) and the polymeric character of the complex has been established by single crystal X-ray diffraction.…”

Section: Introductionmentioning

confidence: 99%

Probing the Formation, Structure, and Reactivity of Zn(II), Ag(I), and Fe(II) Complexes with 2,2′:6′,2″-Terpyridine on Ag Nanoparticles Surfaces by Time Evolution of SERS Spectra, Factor Analysis, and DFT Calculations

et al. 2018

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The adsorption and surface reactivity of 2,2′:6′,2″-terpyridine (tpy) and its metal (M = Zn2+, Fe2+, Ag+) complexes on Ag nanoparticle surfaces together with the structure of the resulting Ms X+-tpy surface species and the mechanism of their formation have been investigated. The process was elucidated by time-dependent surface-enhanced Raman scattering (SERS) spectra, their treatment by factor analysis (FA), density functional theory (DFT) calculations of Raman spectra, and comparison of the SERS spectra of the surface species (obtained by FA) with the Raman spectra of their synthetic analogues (characterized by X-ray diffraction). SERS spectral time evolution revealed surface-induced decomposition of the [Zn(tpy)2]2+ complex and formation of Zns 2+-tpy and Ags +-tpy surface species, accompanied by a ligand exchange of one tpy ligand for chloride anions on the Zn2+ center. The inhibition of Ags +-tpy surface species formation was achieved by addition of Zn2+ cations prior to the addition of the [Zn(tpy)2]2+ complex. The [Fe(tpy)2]2+ complex exhibited no surface decomposition and was identical to the Fes 2+-tpy surface species. Additionally, generation of Ms X+-tpy species on the Ag nanoparticle surfaces by reaction of tpy and M x+ cations was monitored by SERS and evaluated by FA. Determination of the Zns 2+-tpy and Ags +-tpy structures was supported by DFT calculations of the Raman spectra of Zn-tpy and Ag-tpy fragments.

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Surface enhanced Raman scattering of melamine on silver substrate: An experimental and DFT study

Cited by 32 publications

References 17 publications

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

SERS chemical enhancement by copper ‐ nanostructures: Theoretical study of Thiram pesticide adsorbed on Cu₂₀ cluster

Probing the Formation, Structure, and Reactivity of Zn(II), Ag(I), and Fe(II) Complexes with 2,2′:6′,2″-Terpyridine on Ag Nanoparticles Surfaces by Time Evolution of SERS Spectra, Factor Analysis, and DFT Calculations

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Surface enhanced Raman scattering of melamine on silver substrate: An experimental and DFT study

Cited by 32 publications

References 17 publications

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

Melamine-Regulated Ceramic/Polymer Electrolyte Interface Promotes High Stability in Lithium-Metal Battery

SERS chemical enhancement by copper ‐ nanostructures: Theoretical study of Thiram pesticide adsorbed on Cu20 cluster

Probing the Formation, Structure, and Reactivity of Zn(II), Ag(I), and Fe(II) Complexes with 2,2′:6′,2″-Terpyridine on Ag Nanoparticles Surfaces by Time Evolution of SERS Spectra, Factor Analysis, and DFT Calculations

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SERS chemical enhancement by copper ‐ nanostructures: Theoretical study of Thiram pesticide adsorbed on Cu₂₀ cluster