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Dresden 2026 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 9: Organic molecules on inorganic substrates: electronic, optical and other properties I

O 9.3: Vortrag

Montag, 9. März 2026, 15:30–15:45, HSZ/0201

Periodic Potential Engineering of 2D Superlattices for Enhanced Photocatalysis — •Qun Yang — Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle

Atomically thin semiconductors hold great promise for photocatalytic solar energy conversion, yet often face key challenges such as rapid electron-hole recombination, inappropriate band gaps, and misaligned energy levels to redox potentials. We introduce a general design strategy based on symmetry-defined periodic potentials for 2D photocatalyst engineering. These long-range modulations reshape the band structure and induce robust electron-hole separation without altering the material lattice. Applied to a monolayer InSe photocatalyst, we show that experimentally achievable moiré patterns, such as those formed with twisted hBN, enable miniband formation and tunable spatial charge separation. Moreover, the periodic potential modulates local adsorption energetics, providing a new handle to enhance catalytic activity for both photocatalytic hydrogen and oxygen evolution reactions. Our results provide a path toward the realization of high-efficiency solar-to-chemical energy conversion in a broad range of 2D materials.

Keywords: Periodic Potential Engineering; 2D Superlattices; Photocatalytic solar energy conversion; Electron-hole separation; Electronic structure theory

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