基于SnO的气体传感器探测:硫中毒机制由Operando DRIFTS和DFT计算揭示
Tingqiang Yang1,2,3, Matthias Boepple1,2, Anne Hémeryck3
1Institute of Physical and Theoretical Chemistry (IPC), University of Tuebingen, Auf der Morgenstelle 15, D-72076, Tuebingen, Germany.
Angewandte Chemie (International ed. in English)
|March 26, 2025
概括
半导体金属氧化物 (SMOX) 传感器中硫中毒是由粘性硫酸盐和硫酸盐物种引起的. 改善H2S检测需要新的材料或表面添加剂来克服这一挑战.
科学领域:
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
- 环境科学 环境科学
背景情况:
- 使用经济高效的半导体金属氧化物 (SMOX) 传感器实时检测硫化 (H2S) 受到硫中毒效应的阻碍.
- 对潜在机制的不充分理解限制了传感器性能和寿命.
研究的目的:
- 用二氧化 (SnO2) 作为模型系统,识别SMOX传感器中硫中毒的根本原因.
- 阐明导致传感器退化的化学物种和反应途径.
主要方法:
- 运行散射反射红外里埃变换光谱 (DRIFTS) 以在操作条件下分析表面物种.
- 密度函数理论 (DFT) 计算,以确定反应路径和物种形成的能量有利性.
主要成果:
- 粘性硫酸盐和硫酸盐表面物种被确定为SnO2传感器中硫中毒的主要原因.
- 这些物种的形成在能量方面是有利的,而它们的分解需要温度在500°C左右,超过典型的操作条件 (300°C).
- 对于二氧化硫 (SO2) 和含硫的其他挥发性有机化合物 (VOCs),中毒效应也很重要.
结论:
- 克服硫中毒需要使用诸如表面添加剂或具有不同反应途径的替代SMOX材料等策略.
- 了解金属 - 硫 - 氧化学对于推进SMOX气体传感器以及催化和燃料电池等相关应用至关重要.
相关概念视频
Hess's Law
44.3K
There are two ways to determine the amount of heat involved in a chemical change: measure it experimentally, or calculate it from other experimentally determined enthalpy changes. Some reactions are difficult, if not impossible, to investigate and make accurate measurements for experimentally. And even when a reaction is not hard to perform or measure, it is convenient to be able to determine the heat involved in a reaction without having to perform an experiment.
44.3K
Health Information Technology and Healthcare Information System
776
Health Information Technology (HIT)
Health Information Technology, commonly called HIT, integrates advanced information systems and technology in healthcare settings. Its primary functions include:
Health Information Technology, commonly called HIT, integrates advanced information systems and technology in healthcare settings. Its primary functions include:
776
Hooke's Law
334
Hooke's law, a pivotal principle in material science, establishes that the strain a material undergoes is directly proportional to the applied stress, defined by a factor called the modulus of elasticity or Young's modulus.
334
Generalized Hooke's Law
756
The generalized Hooke's Law is a broadened version of Hooke's Law, which extends to all types of stress and in every direction. Consider an isotropic material shaped into a cube subjected to multiaxial loading. In this scenario, normal stresses are exerted along the three coordinate axes. As a result of these stresses, the cubic shape deforms into a rectangular parallelepiped. Despite this deformation, the new shape maintains equal sides, and there is a normal strain in the direction of...
756
Hemoglobin
3.1K
Hemoglobin is a globular protein made up of four subunits. Two of these subunits are alpha chains, and the other two are beta chains. Each subunit contains a molecule of heme, which has an iron atom and can bind to oxygen. When an oxygen molecule binds to one heme group, it changes the shape of hemoglobin, making it easier for the other heme groups to bind oxygen as well.
When all four heme groups are bound to oxygen, the resulting molecule is called oxyhemoglobin. As a result, arterial blood...
When all four heme groups are bound to oxygen, the resulting molecule is called oxyhemoglobin. As a result, arterial blood...
3.1K
Enthalpy
34.6K
Chemists ordinarily use a property known as enthalpy (H) to describe the thermodynamics of chemical and physical processes. Enthalpy is defined as the sum of a system’s internal energy (E) and the mathematical product of its pressure (P) and volume (V):
34.6K


