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
相关论文
共 87 条
[81]   Oxidative stress induced by inorganic nanoparticles in bacteria and aquatic microalgae - state of the art and knowledge gaps [J].
von Moos, Nadia ;
Slaveykova, Vera I. .
NANOTOXICOLOGY, 2014, 8 (06) :605-630
[82]   Cage and tube structures of medium-sized zinc oxide clusters (ZnO)n (n=24, 28, 36, and 48) [J].
Wang, Baolin ;
Wang, Xiaoqiu ;
Chen, Guibin ;
Nagase, Shigeru ;
Zhao, Jijun .
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (14)
[83]   Atomic Structure of the Magic (ZnO)60 Cluster: First-Principles Prediction of a Sodalite Motif for ZnO Nanoclusters [J].
Wang, Baolin ;
Wang, Xiaoqiu ;
Zhao, Jijun .
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (13) :5741-5744
[84]   In Situ Analysis of Oxygen Vacancies and Band Alignment in HfO2/TiN Structure for CMOS Applications [J].
Xu, Da-Peng ;
Yu, Lin-Jie ;
Chen, Xu-Dong ;
Chen, Lin ;
Sun, Qing-Qing ;
Zhu, Hao ;
Lu, Hong-Liang ;
Zhou, Peng ;
Ding, Shi-Jin ;
Zhang, David Wei .
NANOSCALE RESEARCH LETTERS, 2017, 12
[85]  
Yang PD, 2002, ADV FUNCT MATER, V12, P323, DOI 10.1002/1616-3028(20020517)12:5<323::AID-ADFM323>3.0.CO
[86]  
2-G
[87]   An optimal density functional theory method for GaN and ZnO [J].
Yu, Hua-Gen .
CHEMICAL PHYSICS LETTERS, 2011, 512 (4-6) :231-236