Geometric and Electronic Structure Modulation to Optimize the Charge Transfer of TiO2 for Ultrasensitive and Stable SERS Sensing

被引：0

作者：

Liu, Wei ^{[1
,2
]}

He, Xuan ^{[3
]}

Wang, Zihan ^{[1
,2
,3
]}

Yuan, Man ^{[1
,2
]}

Zhao, Zhiyang ^{[1
,2
]}

Ye, Xin ^{[1
,2
]}

Shang, Sisi ^{[1
,2
]}

Song, Zihao ^{[1
,2
]}

Huang, Longjin ^{[1
,2
,3
]}

Liu, Yu ^{[3
]}

Cui, Sheng ^{[1
,2
]}

机构：

[1] Nanjing Tech Univ, Coll Mat Sci & Engn, State Key Lab Mat Oriented Chem Engn, Nanjing 211816, Peoples R China

[2] Nanjing Tech Univ, Jiangsu Collaborat Innovat Ctr Adv Inorgan Funct C, Nanjing 211816, Peoples R China

[3] China Acad Engn Phys, Inst Chem Mat, Mianyang 621900, Peoples R China

来源：

INORGANIC CHEMISTRY | 2024年 / 63卷 / 38期

基金：

中国国家自然科学基金;

关键词：

53;

D O I：

10.1021/acs.inorgchem.4c02364

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Exploring the relationship between semiconductor structure and surface-enhanced Raman scattering (SERS) activity was essential for the development of ultrasensitive SERS substrates. Herein, we report an ytterbium atomic doping strategy to render TiO2 (Yb-TiO2) highly SERS sensitive superior to pure TiO2, with a detection limit as low as 1 x 10(-9) M for 4-mercaptobenzoic acid. First-principles density functional theory calculations reveal that ytterbium doping leads to high electrostatic properties, allowing for significant charge transfer from molecules to semiconductors. Theoretical and experimental results indicate that Yb-TiO2 has a smaller band gap and higher density of states, which effectively enhance charge transfer between molecules and substrates, resulting in significant SERS activity. More importantly, Yb-TiO2 was particularly stable in air and acid solution and can be used for trace molecule detection in extreme environments. We demonstrate a promising approach to construct ultrasensitive SERS by optimizing the electronic structure induced by geometric structures.

引用

页码：17608 / 17616

页数：9