Understanding the interfacial reactivity of aqueous electrolytes is {crucial|essential|vital|critical|important} for their use in future batteries. We investigate the reactivity {of the|from the|in the|on the|with the|of your} bis(trifluoromethane)sulfonimide (TFSI) anion when exposed to a {strong|powerful|robust|sturdy} alkaline medium, by {means|indicates|implies|signifies|suggests} of ab initio molecular dynamics and enhanced sampling {techniques|methods|strategies|tactics|approaches|procedures}. In {particular|specific|certain|distinct|unique}, we study the nucleophilic attack by the hydroxide anion, which was proposed as a mechanism for the formation {of the|from the|in the|on the|with the|of your} {solid|strong} electrolyte interphase {at the|in the} {negative|unfavorable|damaging|adverse} electrode with water-in-salt electrolytes. {While|Whilst|Although|Even though|When|Though} {in the|within the|inside the} gas phase we recover a {stable|steady} gaseous {product|item|solution}, namely fluoroform, we observe the formation of trifluoromethanol in {strong|powerful|robust|sturdy} {basic|fundamental|simple|standard} {conditions|circumstances|situations}, which then {rapidly|quickly|swiftly} deprotonates to {form|type|kind} CF3O-. This anion was {suggested|recommended} {recently|lately|not too long ago} as a {key|important|crucial|essential} compound {leading|top|major} {to the|towards the|for the} formation of a {solid|strong} electrolyte interphase on an Si-C anode. Such an {approach|method|strategy} {could be|might be|could possibly be|may be|may very well be} leveraged to {discover|uncover|learn|find out} {convenient|handy|hassle-free|practical|easy} additives {leading|top|major} {to the|towards the|for the} formation of a {stable|steady} interphase. 1175052-07-9 Formula Formula of NH2-PEG3-C2-NH-Boc PMID:23847952
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