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An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters

Year: 2024

Type: article

Abstract: Subnanometric Metal Clusters Subnanometric metal clusters exhibit unexpected physical and chemical properties with potential applications in (photo)catalysis, energy conversion, sensing, bio-imaging, and theranostics. In article number 2400147, María Pilar de Lara-Castells discusses fundamental concepts to understand their unique fluxional behavior in connection with conical intersections, resistance to deep oxidation, capability to make of titanium dioxide a visible photo-active material, highlighting challenges in their future through computational-theoretical modelling beyond the state-of-the-art.

Source: Small Structures

DOI: 10.1002/sstr.202470048

Author: María Pilar de Lara‐Castells

Institutions: Consejo Superior de Investigaciones Científicas, Instituto de Física Fundamental

Language: English

Topic: Nanocluster Synthesis and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,250

OpenAlex ID: W4403192816

FWCI:

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