A simple layer-by-layer (LbL) self-assembly process of poly(acrylic acid) (PAA) and ZrO2 was applied to construct functional ultrathin multilayers on polyethylene (PE) separators without sacrificing the excellent porous structure of separators. Such PAA/ZrO2 LbL-modified PE separators possess good electrolyte wettability, excellent electrolyte uptake, high ionic conductivity and large Li(+) transference number. More importantly, the top layer of LbL self-assembly would affect the dissociation of electrolyte and the formation of solid electrolyte interphase (SEI) layer in half-cells. Compared with the pristine and (PAA/ZrO2)1PAA-modified PE separators, (PAA/ZrO2)3-modified PE separator shows a larger Li(+) transference number (0.6) and a faster tendency to form a stable SEI layer, endowing half-cells with excellent capacity retention at high C-rates and superior cycling performance. These fascinating characteristics will provide the LbL self-assembly with a promising method to improve the surface property of PE separators for high performance lithium-ion batteries.
The C—I bond dissociation enthalpies (BDE) of various organic iodides were calculated using high-level theoretical methods including MP2 and CCSD(T) with extrapolated basis set as well as a number of density functional theory methods. After systematic evaluation of the theoretical results against available experimental C—I BDEs, it was found that the MPW-LYP1M method gave the lowest root mean square error. We, therefore, used this method to examine the substituent effects on different categories of C(sp3)—I and C(sp2)—I bonds. Furthermore, the remote substituent effects on the C—I BDEs of substituted iodobenzenes and substituted (iodomethyl)benzenes were also investigated at the same level. The C—I BDEs of typical heteroaromatic iodides including five-membered and six-membered heterocyclic iodides were also examined.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.