Comments welcome via email: <a href="mailto:natalie@wfu.edu"> 
natalie@wfu.edu. </a><br><br>

<h4>
First-principles simulations of Li boracites Li<sub>4</sub>B<sub>7</sub>O<sub>12</sub>Cl and 
Li<sub>5</sub>B<sub>7</sub>O<sub>12.5</sub>Cl
</h4>
<p>
   Yan Li  and N.A.W. Holzwarth<br />
      <a href="https://link.aps.org/doi/10.1103/PhysRevMaterials.6.025401">
     Physical Review Materials <b>6 </b>, 025401 (2022) </a> &nbsp;
     Local copy:  <a href="./PhysRevMaterials.6.025401.pdf">PDF</a><p>

<p>
<hr></p>

Lithium boracite crystals have been identified as promising ion conductors 
for possible use in all-solid-state
batteries. With the help of first-principles modeling techniques, 
we are able to show that these materials
have structures with natural interstitial sites which play important roles 
in Li ion migration processes.

<hr><ul>
<li><i><a
href="../../index.html"> Home Page for N. A. W. Holzwarth </a></i> </li>
<li><i><a
href="/physics/index.html">Department of Physics
Home Page</a></i> </li>
<li><i><a
href="http://www.wfu.edu/start.html">Wake Forest home
page</a></i></li></ul>

</body></html>