Anti-corrosive surface effect of ascorbic acid caused on the ZnO nanoparticles - Experimental and theoretical investigations

被引:5
作者
Mydlova, Lucia [1 ]
Kluza, Kamil [1 ]
Halama, Maros [2 ]
Makowska-Janusik, Malgorzata [1 ]
机构
[1] Jan Dlugosz Univ Czestochowa, Fac Math & Nat Sci, Inst Phys, Al Arrnii Krajowej 13-15, PL-42200 Czestochowa, Poland
[2] Tech Univ Kosice, Fac Mat Met & Recycling, Inst Mat, Letna 9, Kosice 04200, Slovakia
关键词
Surface; Nanoparticles; Electrochemistry; Corrosion; DFT; Semi-empirical methods; VITAMIN-C; AB-INITIO; NDDO APPROXIMATIONS; CUO NANOPARTICLES; QUANTUM DOTS; BAND-GAP; 1ST-PRINCIPLES; DENSITY; PARAMETERS; NANOWIRES;
D O I
10.1016/j.apsusc.2019.03.324
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In present work a problem related to nanoparticle surface interaction with environment was highlighted. Electrochemical measurements and quantum-chemical calculations of an electron properties of the ZnO nanoparticles (ZnO-NPs) and ZnO-NPs/ascorbic acid hybrid material were performed. An assessment of dissolution rate of the ZnO-NPs in Hank solution, simulating human body fluid, due to the phenomenon of corrosion was determined. A dramatic change of redox behaviour for the ZnO-NPs was observed with addition of ascorbic acid (AsA) into the solution. Total inhibition effect of the AsA on the ZnO-NPs surface in Hank solution was observed. The corrosion behaviour of the ZnO-NPs and their surface activity was also studied theoretically by computer modelling and quantum-chemical calculations. The performed computer simulations show that the electrons are transferred from AsA to nanoparticle. In consequence, the radicals from the ZnO-NP surface are suppressed. Was shown that information concerning redox properties of NPs lead to the assessment of the life-time of pure and surface treated nanostructures. This is an important step to prevent unwanted consequences caused by NPs for human health, the environment, etc.
引用
收藏
页码:562 / 571
页数:10
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