由单个原子 (Ag,Au) 功能化的有毒气体传感性能:DFT研究
Ping Wu1, Zihao Zhao2, Zijie Huang2
1Shandong Engineering Research Center of New Optoelectronic Information Technology and Devices, School of Mathematics and Physics, Qingdao University of Science & Technology Qingdao 266061 People's Republic of China.
RSC advances
|January 4, 2024
概括
贵金属化素显示出增强的灵敏度和选择性检测有毒气体,如CO,NO和NH3. 这种先进的材料具有很高的可重复使用性和有效监测空气质量的潜力.
科学领域:
- 材料科学 材料科学 材料科学
- 环境科学 环境科学
- 计算化学的计算化学
背景情况:
- 检测有毒气体对于保护环境和人类健康至关重要.
- 是一种有前途的材料,用于气体传感应用.
- 用贵金属进行兴奋剂可以增强材料的性能.
研究的目的:
- 为了研究在纯和化上有毒气体的吸附.
- 评估基于的传感器的灵敏度,选择性和可重复使用性.
- 探索Ag/Au-arsenene在有毒气体检测方面的潜力.
主要方法:
- 使用密度函数理论 (DFT) 计算与范德瓦尔斯 (vdW) 校正.
- 分析了吸附配置,能量和电子特性.
- 计算了理论恢复时间,以评估可重复使用性.
主要成果:
- 与纯烯相比,Ag/Au-烯具有增强的化学吸收和与有毒气体分子的电荷转移.
- Ag/Au-烯在检测CO,NO,NO2,SO2,NH3和H2S方面表现出更高的灵敏度.
- 振动频率和工作功能的变化与吸附强度和选择性相关.
- 酸显示出对H2S,CO和NO检测的高可重复使用性;酸显示出对NO的选择性.
- Ag/Au-烯在高温下对NH3和NO2的检测表现良好.
结论:
- Ag/Au-烯显著提高了有毒气体检测能力.
- 该材料对各种有毒气体具有高灵敏度,选择性和可重复使用性.
- Ag/Au-arsenene 是开发用于环境监测的先进气体传感器的一个有希望的候选物.
更多相关视频
08:18Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
Published on: March 4, 2021
1.8K
![Quantitative SERS Detection of Uric Acid via Formation of Precise Plasmonic Nanojunctions within Aggregates of Gold Nanoparticles and Cucurbit[n]uril](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F61682.jpg&w=3840&q=50)
10:02Quantitative SERS Detection of Uric Acid via Formation of Precise Plasmonic Nanojunctions within Aggregates of Gold Nanoparticles and Cucurbit[n]uril
Published on: October 3, 2020
3.9K
相关概念视频
01:25Atomic Absorption Spectroscopy: Atomization Methods
522
Atomic Absorption Spectroscopy (AAS) atomizes samples through flame atomization or electrothermal atomization. Flame atomization typically involves a nebulizer and spray chamber assembly to combine the sample with a fuel–oxidant mixture, creating a fine aerosol mist that enters a burner. Typically, the fuel and oxidant are combined in an approximately stoichiometric ratio. However, for atoms that are easily oxidized, a fuel-rich mixture may be more advantageous. Only about 5% of the...
522
01:29Atomic Fluorescence Spectroscopy
386
Atomic fluorescence spectroscopy (AFS) is an analytical technique that involves the electronic transitions of atoms in a flame, furnace, or plasma being excited by electromagnetic (EM) radiation. When these atoms absorb energy, they become excited and subsequently release energy as they return to their original state. This emitted light, or "fluorescence," is observed at a right angle to the incident beam. Both absorption and emission processes transpire at distinct wavelengths, which...
386
01:21Atomic Absorption Spectroscopy: Lab
452
For AAS measurements, samples must be introduced as clear solutions, often requiring extensive preliminary treatment to dissolve materials like soils, animal tissues, and minerals. Common methods for sample preparation include treatment with hot mineral acids, wet ashing, combustion in closed containers, high-temperature ashing, or fusion with reagents.
Solutions containing organic solvents, such as low-molecular-mass alcohols, esters, or ketones, enhance absorbances by increasing...
Solutions containing organic solvents, such as low-molecular-mass alcohols, esters, or ketones, enhance absorbances by increasing...
452
01:20Atomic Emission Spectroscopy: Overview
2.2K
Atomic emission spectroscopy (AES) is an analytical technique used to determine the elemental composition of a sample by analyzing the light emitted from excited atoms. In AES, atoms in a sample are excited to higher energy levels by thermal energy from high-temperature sources, such as plasma, arcs, or sparks. When these excited atoms return to lower energy states, they emit light at specific wavelengths characteristic of each element. The resulting atomic emission spectrum, which consists of...
2.2K
01:27Atomic Absorption Spectroscopy: Overview
2.2K
Atomic absorption spectroscopy (AAS) is a technique used to analyze elements by measuring electromagnetic radiation (EMR) absorbed by atoms, which causes them to transition to a higher-energy orbit. The most crucial step in AAS is atomization, where the analyte is converted into gas-phase atoms, typically through a flame or furnace. Some of these atoms become thermally excited in the flame, while most remain in the ground state.
When irradiated by EMR of a particular wavelength, these...
When irradiated by EMR of a particular wavelength, these...
2.2K
01:29Atomic Emission Spectroscopy: Lab
165
AES is a powerful analytical technique, especially effective when used with plasma sources, producing abundant spectra in characteristic emission lines. The Inductively Coupled Plasma (ICP), in particular, yields superior quantitative analytical data due to its high stability, low noise, low background, and minimal interferences under optimal experimental conditions. However, newer air-operated microwave sources are emerging as promising alternatives that could be more cost-effective than...
165