Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Two-electron reduction of ethylene carbonate: a quantum chemistry
  re-examination of mechanisms   Passivating solid-electrolyte interphase (SEI) films arising from electrolyte
decomposition on low-voltage lithium ion battery anode surfaces are critical
for battery operations. We review the recent theoretical literature on
electrolyte decomposition and emphasize the modeling work on two-electron
reduction of ethylene carbonate (EC, a key battery organic solvent). One of the
two-electron pathways, which releases CO gas, is re-examined using simple
quantum chemistry calculations. Excess electrons are shown to preferentially
attack EC in the order (broken EC^-) > (intact EC^-) > EC. This confirms the
viability of two electron processes and emphasizes that they need to be
considered when interpreting SEI experiments. An estimate of the crossover
between one- and two-electron regimes under a homogeneous reaction zone
approximation is proposed.

35
The categories of this paper are: mtrl-th
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
12
The categories of this paper are: nucl-th
17
The categories of this paper are: q-fin
23
The categories of this paper are: solv-int
34
The categories of this paper are: chem-ph
28
The categories of this paper are: alg-geom
37
The categories of this paper are: supr-con
33
The categories of this paper are: plasm-ph
0
The categories of this paper are: hep-ph
30
The categories of this paper are: q-alg
21
The categories of this paper are: adap-org
2
The categories of this paper are: math
6
The categories of this paper are: astro-ph
10
The categories of this paper are: q-bio