论文标题
用于振动驱动发电机的钾离子元素的负电荷存储机制：具有和不含钾原子的A-SIO2的显微镜研究
Negative-charge-storing mechanism of potassium-ion electrets used for vibration-powered generators: Microscopic study of a-SiO2 with and without potassium atoms
论文作者
论文摘要
钾离子element是振动驱动的微电动发电机的关键要素，几乎可以永久存储负电荷。但是，仍然不清楚这种负电荷的机制仍然不清楚。我们从理论上研究了使用第一原理分子 - 动力学计算的无定形二氧化硅（A-SIO2）的原子和电子结构。我们的计算表明，具有五个SI-O键（SIO5结构）的五倍配位的Si原子是A-SIO2与钾原子的特征性局部结构，该结构具有负电荷，即使在去除钾原子后，它也会保持负电荷，因此仍然保持原状。这些结果表明，该SIO5结构是在钾离子elements中观察到的可靠负电荷的物理起源。我们还发现SIO5结构在1000cm-1处具有拉曼峰。
A potassium-ion electret, which is a key element of vibration-powered microelectromechanical generators, can store negative charge almost permanently. However, the mechanism by which this negative charge is stored is still unclear. We theoretically study the atomic and electronic structures of amorphous silica (a-SiO2) with and without potassium atoms using first-principles molecular-dynamics calculations. Our calculations show that a fivefold-coordinated Si atom with five Si-O bonds (an SiO5 structure) is the characteristic local structure of a-SiO2 with potassium atomsm, which becomes negatively charged and remains so even after removal of the potassium atoms. These results indicate that this SiO5 structure is the physical origin of the robust negative charge observed in potassium-ion electrets. We also find that the SiO5 structure has a Raman peak at 1000cm-1.
