TY - JOUR
T1 - Experimental and DFT studies of copper nanoparticles as SERS substrates
AU - Amador-Martínez, J. D.
AU - Flores-López, N. S.
AU - Hernandez-Martínez, A. R.
AU - Calderón-Ayala, G.
AU - Bocarando-Chacon, J.
AU - Cayetano-Castro, N.
AU - Martínez-Suarez, F.
AU - Leal-Pérez, J. E.
AU - Cortez-Valadez, M.
AU - Britto Hurtado, R.
N1 - Publisher Copyright:
© 2023, The Author(s), under exclusive licence to Springer-Verlag GmbH, DE part of Springer Nature.
PY - 2023/4
Y1 - 2023/4
N2 - Nanoparticles can enhance the intensity of susceptible vibrational modes through electromagnetic or chemical enhancement mechanisms responsible for the SERS effect (Surface-enhanced Raman spectroscopy). In the present work, copper nanoparticles (CuNP) with diameters between 3 and 10 nm were obtained by a simple method using rongalite and gelatin. The UV–Vis spectrum showed a well-defined absorption band centered at 570 nm, attributed to the surface plasmon resonance (SPR) of CuNP in a colloidal solution. The SERS effect was analyzed on the pyridine (Py) molecule, observing an enhancement in the radial breathing mode of Py. Complementarily, Cu4n clusters (with n = 1–5) were modeled under the DFT (Density Functional Theory) framework at the B3LYP (Becke, 3-parameter, Lee–Yang–Parr) approximation level in combination with the LANL2DZ base set (Los Alamos National Laboratory 2 Double-Zeta). After analyzing the molecular descriptors, the Cu4n-Py interaction study provided hints of SERS behavior.
AB - Nanoparticles can enhance the intensity of susceptible vibrational modes through electromagnetic or chemical enhancement mechanisms responsible for the SERS effect (Surface-enhanced Raman spectroscopy). In the present work, copper nanoparticles (CuNP) with diameters between 3 and 10 nm were obtained by a simple method using rongalite and gelatin. The UV–Vis spectrum showed a well-defined absorption band centered at 570 nm, attributed to the surface plasmon resonance (SPR) of CuNP in a colloidal solution. The SERS effect was analyzed on the pyridine (Py) molecule, observing an enhancement in the radial breathing mode of Py. Complementarily, Cu4n clusters (with n = 1–5) were modeled under the DFT (Density Functional Theory) framework at the B3LYP (Becke, 3-parameter, Lee–Yang–Parr) approximation level in combination with the LANL2DZ base set (Los Alamos National Laboratory 2 Double-Zeta). After analyzing the molecular descriptors, the Cu4n-Py interaction study provided hints of SERS behavior.
KW - Copper nanoparticles
KW - DFT calculations
KW - Low-cost synthesis
KW - SERS effect
UR - http://www.scopus.com/inward/record.url?scp=85150277915&partnerID=8YFLogxK
U2 - 10.1007/s00339-023-06531-2
DO - 10.1007/s00339-023-06531-2
M3 - Artículo
AN - SCOPUS:85150277915
SN - 0947-8396
VL - 129
JO - Applied Physics A: Materials Science and Processing
JF - Applied Physics A: Materials Science and Processing
IS - 4
M1 - 254
ER -