  Batteries are pivotal components in overcoming some of today's greatest
technological challenges. Yet to date there is no self-consistent atomistic
description of a complete battery. We take first steps toward modeling of a
battery as a whole microscopically. Our focus lies on phenomena occurring at
the electrode-electrolyte interface which are not easily studied with other
methods. We use the redox split-charge equilibration (redoxSQE) method that
assigns a discrete ionization state to each atom. Along with exchanging partial
charges across bonds, atoms can swap integer charges. With redoxSQE we study
the discharge behavior of a nano-battery, and demonstrate that this reproduces
the generic properties of a macroscopic battery qualitatively. Examples are the
dependence of the battery's capacity on temperature and discharge rate, as well
as performance degradation upon recharge.
