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

The physicochemical behavior of elements and compounds is heavily altered byhigh pressure. The occurrence of pressure-induced reactions and phasetransitions can be revealed by crystal structure prediction approaches. In thiswork, we explore the C-H-O phase diagram up to 400 GPa exploiting anevolutionary algorithm for crystal structure predictions along with ab initiocalculations. Besides uncovering new stable polymorphs of high-pressureelements and known molecules, we predicted the formation of new compounds. A2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, waspredicted to form exothermically at mild pressure (about 1 GPa). As pressurerises, it polymerizes and, above 300 GPa, reacts with water to formorthocarbonic acid (H4CO4). This unexpected high-pressure chemistry isrationalized by analyzing charge density and electron localization functiondistributions, and implications for general chemistry and planetary science arealso discussed.

Pressure-induced stabilization of carbonic acid and other compounds in the C-H-O system