【摘要】 本文利用密度泛函方法计算了吡啶和水分子分别吸附于粗糙银电极表面的拉曼光谱强度。结果表明,在不发生共振拉曼散射情况下,拉曼强度随电极表面负电荷量的增加而显著增大。理论预测与实验结果一致。更多还原

【Abstract】 We calculated Raman intensities of pyridine and water adsorbed on rough silver electrodes respectively by using density functional theory approach. The results show that Raman intensities increase considerably with the negative charge on silver electrode surfaces. This is in agreement with previous experimental observations.更多还原