CDMF-UFSCar, Universidade Federal de São Carlos , P.O. Box 676, 13565-905 São Carlos, SP Brazil.
FOAr-UNESP, Universidade Estadual Paulista , P.O. Box 1680, 14801903 Araraquara, SP Brazil.
ACS Appl Mater Interfaces. 2017 Apr 5;9(13):11472-11481. doi: 10.1021/acsami.7b00920. Epub 2017 Mar 24.
The electronic configuration, morphology, optical features, and antibacterial activity of metastable α-AgVO crystals have been discussed by a conciliation and association of the results acquired by experimental procedures and first-principles calculations. The α-AgVO powders were synthesized using a coprecipitation method at 10, 20, and 30 °C. By using a Wulff construction for all relevant low-index surfaces [(100), (010), (001), (110), (011), (101), and (111)], the fine-tuning of the desired morphologies can be achieved by controlling the values of the surface energies, thereby lending a microscopic understanding to the experimental results. The as-synthesized α-AgVO crystals display a high antibacterial activity against methicillin-resistant Staphylococcus aureus. The results obtained from the experimental and theoretical techniques allow us to propose a mechanism for understanding the relationship between the morphological changes and antimicrobial performance of α-AgVO.
通过实验和第一性原理计算结果的协调和关联，讨论了亚稳相α-AgVO 晶体的电子构型、形态、光学特性和抗菌活性。α-AgVO 粉末通过在 10、20 和 30°C 下使用共沉淀法合成。通过对所有相关低指数表面[(100)、(010)、(001)、(110)、(011)、(101)和(111)]进行 Wulff 构造，通过控制表面能的值可以实现所需形态的微调，从而从微观角度理解实验结果。合成的α-AgVO 晶体对耐甲氧西林金黄色葡萄球菌表现出高抗菌活性。实验和理论技术的结果使我们能够提出一种机制来理解α-AgVO 的形态变化和抗菌性能之间的关系。
