Suitable boron-doped graphene substrate for glucose Raman signal enhancement

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F25%3A00385799" target="_blank" >RIV/68407700:21230/25:00385799 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.apsadv.2025.100875" target="_blank" >https://doi.org/10.1016/j.apsadv.2025.100875</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apsadv.2025.100875" target="_blank" >10.1016/j.apsadv.2025.100875</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Suitable boron-doped graphene substrate for glucose Raman signal enhancement

Popis výsledku v původním jazyce

Surface-enhanced Raman spectroscopy (SERS) is a highly sensitive and selective technique. It greatly enhances the signal of an analyte compared to classical Raman spectroscopy, due to analyte–substrate interactions. A promising substrate for SERS is boron-doped graphene (B-graphene). At low boron concentrations of ~1.39 at.%, it has been shown to enhance the Raman signal of simple organic molecules such as pyridine. The potential use of high-concentration B-graphene materials for SERS remains unexplored. Therefore, in our study, we investigate the influence of dopant concentration and relative adsorbate/substrate geometry on the effectiveness of B-graphene as a SERS substrate, with glucose as the analyte. We perform Density Functional Theory simulations using the PBE functional and the DFT-D2 van der Waals correction. By combining analysis of interatomic force constants and phonon eigenvector composition, we conclude that higher doping concentrations provide a larger enhancement to the Raman signal of glucose, while the molecule’s orientation relative to the surface plays a fundamental role in the Raman response. We suggest that 12.5 at.% B-graphene represents a potential substrate for SERS-based detection of glucose. Additionally, the phonon-based analysis can be promptly applied in the search for promising substrate materials for enhanced Raman response.

Název v anglickém jazyce

Suitable boron-doped graphene substrate for glucose Raman signal enhancement

Popis výsledku anglicky

Surface-enhanced Raman spectroscopy (SERS) is a highly sensitive and selective technique. It greatly enhances the signal of an analyte compared to classical Raman spectroscopy, due to analyte–substrate interactions. A promising substrate for SERS is boron-doped graphene (B-graphene). At low boron concentrations of ~1.39 at.%, it has been shown to enhance the Raman signal of simple organic molecules such as pyridine. The potential use of high-concentration B-graphene materials for SERS remains unexplored. Therefore, in our study, we investigate the influence of dopant concentration and relative adsorbate/substrate geometry on the effectiveness of B-graphene as a SERS substrate, with glucose as the analyte. We perform Density Functional Theory simulations using the PBE functional and the DFT-D2 van der Waals correction. By combining analysis of interatomic force constants and phonon eigenvector composition, we conclude that higher doping concentrations provide a larger enhancement to the Raman signal of glucose, while the molecule’s orientation relative to the surface plays a fundamental role in the Raman response. We suggest that 12.5 at.% B-graphene represents a potential substrate for SERS-based detection of glucose. Additionally, the phonon-based analysis can be promptly applied in the search for promising substrate materials for enhanced Raman response.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EH22_008%2F0004590" target="_blank" >EH22_008/0004590: Robotika a pokročilá průmyslová výroba</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Applied Surface Science Advances

ISSN

2666-5239

e-ISSN

2666-5239

Svazek periodika

30

Číslo periodika v rámci svazku

December

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

—

Kód UT WoS článku

001600310200001

EID výsledku v databázi Scopus

2-s2.0-105020472570