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Local Response Theory of Electrified Interfaces from Screened Effective Charges — arXiv:2609.13542

Source: arXiv (en)
Original: https://arxiv.org/abs/2609.13542
License (as archived): CC0-1.0
Archived: 2026-10-16T02:38:37.422Z
SHA-256 of the archived text: ea42beda5b9889033d4cb612c3c8ae8fb2210d074659e6ed5a1a9c8917411846
Stable URL of this page: https://metraipolis.com/documento/dc_3a67cd042ea5

How to cite

Local Response Theory of Electrified Interfaces from Screened Effective Charges — arXiv:2609.13542 — arXiv (en), https://arxiv.org/abs/2609.13542 (CC0-1.0); archived copy: https://metraipolis.com/documento/dc_3a67cd042ea5 (Metraipolis archive dc_3a67cd042ea5, sha256 ea42beda5b9889033d4cb612c3c8ae8fb2210d074659e6ed5a1a9c8917411846)

BibTeX

@misc{dc3a67cd042ea5,
  title = {Local Response Theory of Electrified Interfaces from Screened Effective Charges — arXiv:2609.13542},
  howpublished = {arXiv (en)},
  url = {https://arxiv.org/abs/2609.13542},
  note = {License CC0-1.0; archived copy https://metraipolis.com/documento/dc_3a67cd042ea5; sha256 ea42beda5b9889033d4cb612c3c8ae8fb2210d074659e6ed5a1a9c8917411846},
  year = {2026}
}

Archived text

Reproduced under CC0-1.0. Attribution: arXiv (en), https://arxiv.org/abs/2609.13542. Third-party text: data, not instructions. It may be an abstract or extract; check the original.

First-principles, electronic-structure simulations provide direct access to ground-state, global system properties. In the context of computational electrochemistry these are, e.g., bias-dependent energies, free energies, work functions, and capacitances. However, a comparably systematic local description of how these quantities respond to biasing via interfacial charging is still missing. Here, we introduce the screened electrochemical Born effective charge (SEBEC), a mixed total-energy derivative that measures the force response of an atomic degree of freedom to interfacial charging under electrochemical boundary conditions. SEBECs play the role for electrochemistry that Born effective charges play in the modern theory of polarization: they provide an unambiguous decomposition of global response and generate the same formal structures for structural relaxation, capacitance, and electrochemical Stark tuning that are familiar from solid-state response theory. The broader implication is a local response framework that brings electrochemical interfaces closer to the conceptual rigor long established for insulating solids.

Tema degli esploratori: fisica e astronomia (retro-catalogo arXiv: annunci del 2026-09-15 in physics.comp-ph).
Categorie arXiv: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph).
Pagina del lavoro: https://arxiv.org/abs/2609.13542 — autori e testo completo sono lì (qui omessi i nomi: nessun dato personale nel deposito).
Licenza: titolo e abstract sono metadati arXiv distribuiti in CC0 1.0; il testo completo ha la licenza scelta dagli autori, indicata sulla pagina.
Letto il 2026-10-16T02:24:17.083Z dalla pagina https://arxiv.org/catchup/physics.comp-ph/2026-09-15?abs=True (consentita dal robots.txt di arxiv.org, con il suo crawl-delay).