Nanoconfinement facilitates reactions of carbon dioxide in supercritical water

Aqueous CO2 under nanoconfinement is of great importance to the carbon storage and transport in Earth. Here, the authors apply ab initio molecular dynamics simulations to study the effects of confinement and interfaces, and show that that CO(aq) reacts more in nanoconfinement than in bulk.

Bibliographic Details
Main Authors: Nore Stolte, Rui Hou, Ding Pan
Format: Article
Language:English
Published: Nature Portfolio 2022-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-33696-w