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2 article(s) from Adam, Jost

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

Kamal Kumar,
Nora H. de Leeuw,
Jost Adam and
Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

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Figure 1: Top and side views of relaxed geometries, PDOS, and EBSs of (a) ψ-graphene, (b) ψ-graphone, and (c)...

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Figure 2: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphene (a) at 0% and (b) −14...

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Figure 3: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphone (a) at +1% and (b) at...

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Figure 4: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphane (a) at −17% and (b) +...

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Figure 5: Variation of (i) bandgap energy E_g and (ii) buckling height h of (a) ψ-graphene, (b) ψ-graphone, an...

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Published 20 Nov 2024

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Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

Anup Shrivastava,
Shivani Saini,
Dolly Kumari,
Sanjai Singh and
Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

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Figure 1: Optoelectronic property investigation of a group IV–VI dichalcogenide monolayer (Ge₂Se₂), and its a...

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Figure 2: Geometry and stability of Ge₂Se₂ monolayers. (a) Side view with the corresponding structural parame...

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Figure 3: The electronic band structure of monolayer Ge₂Se₂, revealing a direct bandgap of 1.12 eV, and the c...

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Figure 4: Macroscopic potential distribution vs lattice vector in the normal direction for monolayer Ge₂Se₂. ...

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Figure 5: Optical responses of monolayer Ge₂Se₂; real (solid) and imaginary (dashed) part of the dielectric c...

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Figure 6: Schematic of the proposed PSC using Ge₂Se₂ as HTL; (a) device setup consisting of stacked layers of...

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Figure 7: PSC performance parameters as functions of (a) HTL thickness, (b) ETL thickness, (c) absorber thick...

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Figure 8: Variation of PSC performance parameters with interface defects between (a) ETL and active layer, an...

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Figure 9: (a) Current density vs voltage curve for the proposed PSC, demonstrating a short-circuit current de...

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Figure 10: Computational pathway to estimate the materials’ behavior and application in a PSC. First step – DF...

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Full Research Paper

Published 11 Sep 2024

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Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

Quantum-to-classical modeling of monolayer Ge2Se2 and its application in photovoltaic devices

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices