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Pd-Induced Electronic Activation and Strain-Tunable Adsorption-Coupled Electronic Modulation in Janus ZrSSe Monolayers

Pd-decorated Janus ZrSSe monolayers provide a promising platform for adsorption-coupled electronic modulation in two-dimensional materials. Using first-principles density functional theory, we systematically investigate the structural stability, electronic properties, and adsorbate-induced electroni...

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Principais autores: Guanxiang Yang, Ligang Wang, Lihongye Liao, Qiang Zhao, Xiaoping Ouyang
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2026-06-01
Serier:Electronic Materials
Fag:
first-principles calculations
Janus ZrSSe
Pd decoration
adsorption-induced electronic modulation
orbital hybridization
strain engineering
Online adgang:https://www.mdpi.com/2673-3978/7/2/13
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