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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Xiao-Jie Mo

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Open access Sep 2026

Motif-dependent carrier relaxation dynamics in g - heterostructures: A nonadiabatic molecular dynamics study

Van der Waals heterostructures provide an effective platform for regulating interfacial charge transfer and carrier dynamics in photocatalytic systems. Here, we combine first-principles calculations and nonadiabatic molecular dynamics (NAMD) simulations to investigate triazine- and heptazine-based g-C3N4/MoSi2N4 hetero...

Yu-Na Li, Xiao-Jie Mo, Chen-Xu Zhang et al. · 0 citations

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