Ab Initio Studies on Hematite Surface and the Adsorption of Phosphate

<table class="table-group" id="tab2"><tr><td><table class="table"><tr><td class="thead-hr" colspan="2"><hr/></td></tr><tr><td align="left">Crystal systems</td><td align="center">Cohesive energy (Ry/molecule)</td></tr><tr><td align="center" colspan="2"><hr/></td></tr><tr><td align="left">OH-terminating hematite</td><td align="center">−11.7187</td></tr><tr><td align="left">Fe-terminating hematite</td><td align="center">−11.6393</td></tr><tr><td align="left">O-terminating hematite</td><td align="center">−9.2695</td></tr><tr class="table-tr"><td colspan="2"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

Stability comparison chart of AFM-hematite.

Journal of Theoretical Chemistry

tab2

Table 2

Table 2: Ab Initio Studies on Hematite Surface and the Adsorption of Phosphate 