Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS<sub>2</sub>: A DFT Analysis

<div>Optimised structures of the top and side view of the (a) pristine ZrS<sub>2</sub> and (b)–(d) O, Se- and Te-doped ZrS<sub>2</sub> monolayer, respectively.</div>

Advances in Materials Science and Engineering

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Figure 1

Figure 1: Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS<sub>2</sub>: A DFT Analysis 

Advances in Materials Science and Engineering

Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS2: A DFT Analysis

Figure 1

Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS₂: A DFT Analysis