五氧化二铁
无定形固体
密度泛函理论
钒
材料科学
带隙
薄膜
态密度
溅射沉积
电化学
溅射
分析化学(期刊)
凝聚态物理
分子物理学
化学
计算化学
物理化学
纳米技术
光电子学
物理
电极
结晶学
冶金
色谱法
作者
Iliana Lykissa,Shuyi Li,Muhammad Ramzan,Sudip Chakraborty,Rajeev Ahuja,Claes G. Granqvist,Gunnar A. Niklasson
摘要
Thin films of V2O5 were prepared by sputter deposition onto transparent and electrically conducting substrates and were found to be X-ray amorphous. Their electrochemical density of states was determined by chronopotentiometry and displayed a pronounced low-energy peak followed by an almost featureless contribution at higher energies. These results were compared with density functional theory calculations for amorphous V2O5. Significant similarities were found between measured data and computations; specifically, the experimental low-energy peak corresponds to a split-off part of the conduction band apparent in the computations. Furthermore, the calculations approximately reproduce the experimental band gap observed in optical measurements.
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