Work

Multiscale modeling of gas adsorption and surface coverage in thermocatalytic systems

Year: 2025

Type: article

Abstract: This work reframes chemisorption as a substitution process, showing that the adsorption energy reflects both bond formation and the grand potential penalty arising from the surface's interaction with the interareaction environment.

Source: Chemical Science

DOI: 10.1039/d5sc03726c

Authors: Jikai Sun, Jianzhong Wu

Institution: University of California, Riverside

Language: English

Topic: Catalytic Processes in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: diamond

Funders: National Science Foundation, Deutsche Forschungsgemeinschaft, Brookhaven National Laboratory

Awards: G106229009, G7652024944, NSF-DFG Confine: MolPEC – Molecular Theory of Weak Polyelectrolytes in Confined Space

OpenAlex ID: W4414291933

FWCI: 1.044

Cites: 37

Cited by: 5

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