articleAdvanced MaterialsJan 6, 2026BRONZE OA

Quantum to Device AI‐Guided Passivation Paradigm for All‐Weather Ultrastable MXene Based Photothermal Converter

TCTianyang CuiYZYapeng ZhengWCWei CaiLQLiangyuan QiJWJingwen Wang

University of Science and Technology of China · IMDEA Materials · +1 more institution

PubMed
Indexed incrossrefpubmed

Abstract

Photothermal efficiency in MXenes arises from the complex interplay between electronic structure and lattice dynamics, yet the precise contribution of electron-phonon coupling (EPC) remains poorly understood. By integrating ab initio nonadiabatic carrier-dynamics simulations with state-resolved electron-phonon-coupling analysis, the intrinsic mechanisms governing photothermal conversion in MXene materials are elucidated. Results reveal that MXene photothermal performance is dictated by an intrinsic hierarchy of EPC channels and hot-phonon accumulation, whereas defect-mediated non-radiative recombination serves as a secondary channel and ultimately compromises long-term photothermal stability. Building on this…

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5
total citations
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31.14
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100%
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9

Topics & keywords

Topics
Keywords
  • Photothermal therapy
  • MXenes
  • Passivation
  • Photothermal effect
  • Quantum
  • Coupling (piping)
  • Ab initio
  • Quantum dot
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