ArticleMaterials (Basel, Switzerland)2025
First-Principles Design of Qubits in Charged Carbon Nanomaterials.
Article in Materials (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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6 authors.
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Abstract
Our first-principles calculations have unveiled a profound influence of varied external charges on the energy levels and spin distributions of zero-, one-, and two-dimensional carbon nanomaterials. By leveraging the Fermi distribution formula, we systematically analyze the temperature-dependent electron occupancy probabilities of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). Notably, configurations with specific additional electron loads exhibit a stable total occupancy of HOMO + LUMO equal to 1 across a wide temperature range, forming a robust basis for orbital qubits. This stability persists even under Fermi energy corrections, demonstrating minimal temperature sensitivity up to 300 K. Furthermore, we identify a universal criterion-E
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