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相关概念视频

Mass Analyzers: Common Types01:19

Mass Analyzers: Common Types

The quadrupole mass analyzer consists of four cylindrical metal rods arranged in a diamond carrying a DC voltage and a radio-frequency AC voltage. The motion of ions through the quadrupole depends on the field strength, causing only ions of a certain m/z to resonate successfully and strike the detector at a given field strength. Though the transmission rate for these analyzers is high, the exact elemental composition of the sample is not determined because of low resolution; however, they are...
Ion Exchange01:17

Ion Exchange

Ion exchange chromatography separates charged molecules from a solution by reversibly exchanging them with mobile, or 'active', ions associated with the oppositely charged stationary phase. This method can be used to separate ions, soften and deionize water, and purify solutions. The polymers comprising the ion-exchange column are high-molecular-weight and chemically stable polymers, crosslinked to be porous and essentially insoluble. They are also functionalized with either acidic or basic...
Ion-Exchange Chromatography01:09

Ion-Exchange Chromatography

Ion-exchange chromatography, or IEC, is a technique for separating ions based on their affinity for the stationary phase. The stationary phase is a cross-linked polymer resin with covalently attached ionic functional groups. The functional groups can be either positively charged (cation exchangers) or negatively charged (anion exchangers). A cation exchanger consists of a polymeric anion and active cations, while an anion exchanger is a polymeric cation with active anions. The choice of...
Differential Relays01:20

Differential Relays

Differential relays are used to protect generators, buses, and transformers by comparing electrical quantities at different points. When a fault occurs, the difference in current between the two points triggers the relay to operate, opening the circuit breaker. Under normal conditions, the current entering (i1) and leaving (i2) a generator are equal. When a fault occurs, however, these currents become unequal, and the difference current flows in the relay operating coil, causing the relay to...
Pilot and Numeric Relaying01:21

Pilot and Numeric Relaying

Pilot relaying is a type of differential protection used in power systems. It compares electrical quantities at the terminals of equipment via a communication channel instead of direct relay interconnection. This method is essential for transmission lines where the terminals are far apart, typically up to 80 km for lines with 69 to 115 kV ratings. Four types of communication channels are used for pilot relaying:
Electronic Distance Measuring Instruments01:30

Electronic Distance Measuring Instruments

Electronic Distance Measuring Instruments (EDMs) are essential tools in modern surveying, offering precise distance measurements by emitting electromagnetic signals and calculating the time required for these signals to travel to a target and return. Two primary types of signals are used in EDMs — light waves and microwaves — each suited to specific environmental and distance requirements. Light-wave-based EDMs utilize either infrared or laser light, providing high accuracy over short distances...

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Preparation of Silicon Nanowire Field-effect Transistor for Chemical and Biosensing Applications
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用于选单分子导电交换机的有效描述器

Junjun Zhou1, Sha Yang1, Yirong Zhang1

  • 1Nano and Heterogeneous Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China.

Journal of the American Chemical Society
|March 1, 2024
PubMed
概括

研究人员开发了一种模型来发现电子电路的新分子开关. 该模型使用金属和分子特性预测分子开关稳定性,并高准确性识别了56个新候选物.

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科学领域:

  • 材料科学
  • 纳米技术
  • 计算化学

背景情况:

  • 吸附型分子开关为分子电子提供双稳定状态.
  • 由于复杂的界面相互作用,已知有限的分子开关 (<10) 阻碍了进展.

研究的目的:

  • 开发一种用于识别新型吸附型分子开关的预测模型.
  • 克服在有机/无机界面上的分子交换机方面的挑战.

主要方法:

  • 开发了一种基于金属价值电子度,金属工作功能和分子电子负性的模型.
  • 使用梯度下降和线性差异分析来创建稳定性描述符.
  • 使用密度函数理论 (DFT) 和非平衡格林函数 (NEGF) 计算的验证预测.

主要成果:

  • 在金属表面发现了56个新的分子开关.
  • 在预测芳香分子开关的稳定性方面取得了90%的准确性.
  • 通过运输计算确认了导电切换行为.

结论:

  • 开发的模型有效地预测了分子开关的稳定性,并确定了新的候选物.
  • 这种方法有助于发现先进电子电路的分子开关.
  • 这些发现为更可靠,更可扩展的分子电子技术铺平了道路.