文献类型：期刊文献

英文题名：Zinc oxide with dominant (100) facets boosts vulcanization activity

作者：Cui, Jian[1];Zhang, Ling[1];Wu, Wangchao[1];Cheng, Zhimin[1];Sun, Ying[1];Jiang, Haibo[1];Li, Chunzhong[1]

机构：[1]East China Univ Sci & Technol, Shanghai Engn Res Ctr Hierarch Nanomat, Sch Mat Sci & Engn, Key Lab Ultrafine Mat,Minist Educ, Shanghai 200237, Peoples R China

年份：2019

卷号：113

起止页码：148

外文期刊名：EUROPEAN POLYMER JOURNAL

收录：;EI(收录号：20190506454626);WOS:【SCI-EXPANDED(收录号:WOS:000463979200017)】；

基金：This work was supported by the National Natural Science Foundation of China (21838003, 91834301, 21878092), the Shanghai Scientific and Technological Innovation Project (18JC1410600), the Social Development Program of Shanghai (17DZ1200900, 18DZ2252400), the Innovation Program of Shanghai Municipal Education Commission, and the Fundamental Research Funds for the Central Universities (222201718002).

语种：英文

外文关键词：Zinc oxide; Facets; Density functional calculation; Rubber; Vulcanization activity

摘要：The effect of zinc oxide (ZnO) with different crystal facets on the vulcanization activity efficiency was studied via experiments and theoretical calculation. Two types of ZnO particle with the similar size and specific surface, one with more (0 0 1) facets (table-like ZnO) and the other with more (1 0 0) facets (rod-like ZnO), were used to investigate the effects of different facets on the vulcanization activity. The results of curing rate index (CRI) suggested that rod-like ZnO has a faster cure rate than table-like ZnO and rod-like ZnO has a higher vulcanization activity efficiency than table-like ZnO because of higher cross-link density in the styrene butadiene rubber (SBR) composites cured by rod-like ZnO crystal. The DFT calculation results showed that the value of Zn-O binding energy on the crystal face of rod-like ZnO was lower than that of table-like ZnO, which indicated that more Zn2+ would be released into the rubber matrix during the process of vulcanization and it would efficiently promote the curing process. It was proposed that the vulcanization activity of ZnO was highly relative with the ZnO exposed facets, which is in the order of (1 0 0)(1) > (0 01) > (1 0 0)(2) > (0 0 (1) over bar), which was consistent with the experiment results.