Supplemental Material

Supplemental material containing: details of electronic- structure calculations; atomic positions and k-point sam- pling; data from WOT tuning calculations; consolidated ta- bles of electronic and optical band gaps from the literature and this work; and comparisons of GW/GW-BSE and WOT- SRSH/TD-SRSH results.

Publication Details

Journal
Figshare
Published
2025-04-11
DOI
https://doi.org/10.60893/figshare.apl.28680722.v1
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00
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Supplemental Material

Figshare
2D Materials and Applications
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Abstract

Supplemental material containing: details of electronic- structure calculations; atomic positions and k-point sam- pling; data from WOT tuning calculations; consolidated ta- bles of electronic and optical band gaps from the literature and this work; and comparisons of GW/GW-BSE and WOT- SRSH/TD-SRSH results.

Figshare
Openalex Percentile: Top 61%
2D Materials and Applications
DOISourceOpenAlex
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