Computational Screening of Bonding-Controlled Electronic Structures in One-Dimensional Cu/Ag-Based Hybrid Semiconductors. [PDF]
Liu Z, Yang X, He X, Sun Y.
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Semiconducting Single-Wall Antimony Oxide Nanotubes and Oxidotritelluridoantimonate(V) Anions. [PDF]
He H, Janson O, Romaka V, Ruck M.
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Elucidating Defect Behaviors Optimizing the Thermoelectric Performance in PbTe-MgTe Based Materials. [PDF]
Zhang X, Zhang J, Qin M, Huang L.
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Transition metal selenide-based photocatalysts for the degradation of organic dyes: materials design, mechanistic insights, and practical applicability. [PDF]
Khan N +8 more
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Octahedral-motif-guided design of optoelectronic semiconductors via interpretable machine learning. [PDF]
Yang X +6 more
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Computational and experimental pathways to next-generation ultrawide-band-gap oxide semiconductors. [PDF]
Chae S +5 more
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Comprehensive Review on Doping Strategies for Two-Dimensional Tungsten Diselenide. [PDF]
Lee D.
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Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps. [PDF]
Mohn CE +4 more
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First-principles investigation of Be<sub>3</sub>PX<sub>3</sub> (X = F, Cl, Br) halide anti-perovskites: structural stability, optoelectronic properties, and theoretical photocatalytic screening. [PDF]
Mia MH +5 more
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Heterostructured photocatalysts in the removal of methylene blue dye: Mechanisms, recent advances, and design principles. [PDF]
Akintayo DC +4 more
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