Research data for TMV-biotemplated Pd/Pt nanowires integrated with rGO for SERS detection and vibrational analysis of illicit drugs
Description
This dataset supports the research article: Surface-Enhanced Raman Detection of Methamphetamine, Tetrahydrocannabinol, and Ketamine Using Tobacco Mosaic Virus-Biotemplated Pd/Pt Nanowires and Reduced Graphene Oxide The dataset contains source and derived data used to support the Raman/SERS, reproducibility, apparent enhancement-factor, lake-water recovery, FDTD, and DFT results reported in the manuscript. It includes five raw control Raman/SERS spectra used for the rGO-background comparison; numerical files used for Figure S1; reproducibility and operational LOD tables; lake-water recovery data; the parameters used to calculate the apparent analytical enhancement factor; FDTD simulation parameters and geometry summary; and DFT conformer, vibrational-assignment, and Cartesian-coordinate data. The sensing formulation used 10 uL TMV-PdPtNWs dispersion, 2 uL rGO stock solution (0.5 mg/L), and 10 uL analyte solution. Reported R6G concentrations refer to the final concentration in the 22 uL sensing mixture. The apparent analytical EF was evaluated using final C_SERS = 1.0 x 10^-5 M, I_SERS = 46,805.37 a.u., C_Raman = 1.0 x 10^-2 M, and I_Raman approximately 2.7 x 10^4 a.u., giving EF approximately 1.73 x 10^3 and reported as 1.7 x 10^3. The FDTD model used 23 experimentally constrained Pd/Pt-containing nanowires under 532 nm excitation. DFT data include the conformers and vibrational assignments used for methamphetamine, ketamine, and THC. Important scope note: this package contains the underlying numerical data available in the final manuscript-preparation workspace. Individual raw concentration-series spectra for all R6G/drug concentrations and the 11 individual spot-to-spot spectra were not present as standalone source files in that workspace and therefore have not been reconstructed or digitized from figures. Their reported summary statistics and LOD/calibration metrics are included.
Files
Institutions
- General Administration of CustomsBeijing, Beijing