期刊
JOURNAL OF CLEANER PRODUCTION
卷 264, 期 -, 页码 -出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.jclepro.2020.121682
关键词
N-doped carbon dots; Electrochemistry; Adsorption; Molecular dynamics simulation
资金
- Scientific Research Foundation of Jiangxi University of Science and Technology [205200100421]
- Jiangxi Provincial Department of Education [GJJ190469]
- Research and Development Project of Ganzhou, Science and Technology Innovation Talents Program of Ganzhou
- Program of Qingjiang Excellent Young Talents, Jiangxi University of Science and Technology
A green inhibitor of N-doped carbon dots (N-CDs) was obtained from the reaction between citric acid and L-histidine. Then, a series of professional equipment was selected to evaluate their structure and corrosion protective behaviors in HCl solution. Quantum chemistry and molecular dynamics were chosen to discuss the inhibition mechanism of N-CDs. Electrochemical results showed that the N-CDs exhibited super corrosion protection to metal because it could form dense and ordered adsorption film on metal surface. Compared with citric acid and L-histidine inhibitors, the inhibition efficiency of N-CDs was more than 90% at 100 mg L-1. Based on the calculation of quantum chemistry and molecular dynamics, the low energy gap (Delta E = 0.0680 eV) and high binding energy (E-binding = 190.85 kJ.mol(-1)) of N-CDs indicated the strong chemisorption on metal substrate, which fully explained the inhibition mechanism of N-CDs at molecular/atomic level. (C) 2020 Elsevier Ltd. All rights reserved.
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