Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00619790" target="_blank" >RIV/61388963:_____/25:00619790 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/25:00635965 RIV/00216208:11320/25:10499756

Výsledek na webu

<a href="https://doi.org/10.1038/s41467-025-59071-z" target="_blank" >https://doi.org/10.1038/s41467-025-59071-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41467-025-59071-z" target="_blank" >10.1038/s41467-025-59071-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

Popis výsledku v původním jazyce

Nonmetal-to-metal transitions are among the most fascinating phenomena in material science, associated with strong correlations, large fluctuations, and related features relevant to applications in electronics, spintronics, and optics. Dissolving alkali metals in liquid ammonia results in the formation of solvated electrons, which are localised in dilute solutions but exhibit metallic behaviour at higher concentrations, forming a disordered liquid metal. The electrolyte-to-metal transition in these systems appears to be gradual, but its microscopic origins remain poorly understood. Here, we provide a detailed time-resolved picture of the electrolyte-to-metal transition in solutions of lithium in liquid ammonia, employing ab initio molecular dynamics and many-body perturbation theory, which are validated against photoelectron spectroscopy experiments. We find a rapid flipping between metallic and electrolyte states that persist only on a sub-picosecond timescale within a broad range of concentrations. These flips, occurring within femtoseconds, are characterised by abrupt opening and closing of the band gap, which is connected with only minute changes in the solution structure and the associated electron density.

Název v anglickém jazyce

Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

Popis výsledku anglicky

Nonmetal-to-metal transitions are among the most fascinating phenomena in material science, associated with strong correlations, large fluctuations, and related features relevant to applications in electronics, spintronics, and optics. Dissolving alkali metals in liquid ammonia results in the formation of solvated electrons, which are localised in dilute solutions but exhibit metallic behaviour at higher concentrations, forming a disordered liquid metal. The electrolyte-to-metal transition in these systems appears to be gradual, but its microscopic origins remain poorly understood. Here, we provide a detailed time-resolved picture of the electrolyte-to-metal transition in solutions of lithium in liquid ammonia, employing ab initio molecular dynamics and many-body perturbation theory, which are validated against photoelectron spectroscopy experiments. We find a rapid flipping between metallic and electrolyte states that persist only on a sub-picosecond timescale within a broad range of concentrations. These flips, occurring within femtoseconds, are characterised by abrupt opening and closing of the band gap, which is connected with only minute changes in the solution structure and the associated electron density.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA24-10982S" target="_blank" >GA24-10982S: Fázový přechod elektrolytu na kov v kapalné fázi: interakce mezi vodivostí a reaktivitou roztoků amoniaku a aminů alkalických kovů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nature Communications

ISSN

2041-1723

e-ISSN

2041-1723

Svazek periodika

16

Číslo periodika v rámci svazku

May

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

4302

Kód UT WoS článku

001485497400027

EID výsledku v databázi Scopus

2-s2.0-105004429006