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采用等体积浸渍法在多孔氧化铟基体上负载了贵金属盐,经过热力学计算得到分解温度,然后加热使其分解,使用扫描电镜对样品负载的贵金属形貌进行观察。采用Materials Explorer(ME)5.0软件对多孔氧化铟基体上负载的贵金属(银、钯、铂)原子的扩散运动过程进行分子动力学模拟;分析了贵金属在基体上的存在形式,并与实验结果进行对比,得到了实验结果预估的理论依据;验证了ME分子动力学模拟对实际的指导作用。
The noble metal salt was loaded on the porous indium oxide substrate by the same volume impregnation method. The decomposition temperature was calculated by thermodynamic calculation, and then decomposed by heating. The morphology of noble metal supported by the sample was observed by using scanning electron microscopy. The molecular dynamics simulation of diffusion process of noble metal (silver, palladium, platinum) supported on porous indium oxide substrate was carried out by using Materials Explorer (ME) 5.0 software. The existence form of noble metal on the substrate was analyzed and compared with the experimental results By contrast, the theoretical basis of the experimental results is obtained. The actual guidance of ME molecular dynamics simulation is verified.