First-principles calculations to investigate structural, elastic, electronic, optical, and magnetic properties of Hg2WO4 for photocatalytic applications

Ayub, Sania; Khalil, Adnan; Shaheen, Rahila; Gouadria, Soumaya; Tahir, Muhammad Bilal; Ullah, Zaka; Hannan, Abdul; Yousef, El Sayed; Alzaid, Meshal

doi:10.1016/j.ijleo.2023.170565

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Cited by 6 publications

(2 citation statements)

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“…The DOS unit is electrons/eV, whereas the energy unit is eV. In contrast to DOS, which tracks along the y-axis, energy is obtained along the x-axis [ 36 ]. The energy and DOS rise and fall are shown in this graph.…”

Section: Resultsmentioning

confidence: 99%

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Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R K and Li) for smart window applications: A DFT study

Shahzad,

Hussain,

Riaz

et al. 2024

Heliyon

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Section: Resultsmentioning

confidence: 99%

“…6 and 7 displays the PDOS for the RBeF 3 materials and illustrates the contribution of the electronic states to the VBM and CBM bands. The E F is represented by the vertical line with dots [ 36 ]. The CBM is situated to the right of the E F , while the VBM is only to the left of it.…”

Section: Resultsmentioning

confidence: 99%