Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures

<table>Electronic band structure of monoclinic crystal structure of (C<sub>18</sub>H<sub>37</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> calculated by DFT without SOC. The energy levels are referenced to the valence band maximum.</table>

International Journal of Photoenergy

fig4

Figure 4

Figure 4: Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures 

Figure 4 | Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures 