biovia materials studio 2024 (Accelrys)
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Biovia Materials Studio 2024, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/biovia+materials+studio+2024/2024+biovia+discovery+studio/pmc12924812-79-4-4
Average 86 stars, based on 1 article reviews
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1) Product Images from "First principles study of flat silicon rich 2D alloys Si x Be y"
Article Title: First principles study of flat silicon rich 2D alloys Si x Be y
Journal: Discover Nano
doi: 10.1186/s11671-026-04472-2
Figure Legend Snippet: Two-dimensional sheets 2D1 – 2D5 constructed by periodic arrangement of planar building blocks 1 – 5 (highlighted by blue circles). Red lines indicate the unit cells. OA, OB, and OC correspond to the crystallographic a , b, and c axes, respectively. The Image was created using BIOVIA Materials Studio 2024 ( https://www.3ds.com/ja/products/biovia/materials-studio )
Techniques Used: Construct
Figure Legend Snippet: Electronic band structure of 2D1 – 2D4 along high-symmetry lines and their BZs. The Fermi level is set to zero energy. Band structures are plotted with fine dots at each k-point with 0.001 Å –1 spacing. High-symmetry lines adopted for the electronic band structure are indicated by red lines in the BZ. Reciprocal lattice vectors are denoted as a*, b*, and c*. Inset show isosurfaces of molecular orbitals contributing to the red-highlighted bands in 2D1 . Images were created using BIOVIA Materials Studio 2024 ( https://www.3ds.com/ja/products/biovia/materials-studio )
Techniques Used:
Figure Legend Snippet: Variation of the potential energy, ΔE pot , vs. simulation time (left) and representative structural snapshots at 0 ps and 10 ps (right). Results of AIMD simulations performed at 1000 K are shown for the 3 × 3 × 1 supercell of 2D1 , the 1 × 3 × 2 supercell of 2D2 , and the 2 × 2 × 1 supercell of 2D4 . Top and side views of the snapshots are given. Gold and green spheres represent Si and Be atoms, respectively. Images were created using BIOVIA Materials Studio 2024 ( https://www.3ds.com/ja/products/biovia/materials-studio )
Techniques Used:
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