English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Nano-materials, such as metal-organic frameworks, have been considered tocapture CO$_2$. However, their application has been limited largely becausethey exhibit poor selectivity for flue gases and low capture capacity under lowpressures. We perform a high-throughput screening for selective CO$_2$ capturefrom flue gases by using first principles thermodynamics. We find that elementswith empty d orbitals selectively attract CO$_2$ from gaseous mixtures underlow CO$_2$ pressures at 300 K and release it at ~450 K. CO$_2$ binding toelements involves hybridization of the metal d orbitals with the CO$_2$ $\pi$orbitals and CO$_2$-transition metal complexes were observed in experiments.This result allows us to perform high-throughput screening to discover novelpromising CO$_2$ capture materials with empty d orbitals and predict theircapture performance under various conditions. Moreover, these findings providephysical insights into selective CO$_2$ capture and open a new path to exploreCO$_2$ capture materials.

High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide