2008 journal article

Catalytic role of carbons in methane decomposition for CO- and CO(2)-free hydrogen generation


By: L. Huang n, E. Santiso n, M. Nardelli n & K. Gubbins n

TL;DR: Using first principles calculations at the density functional theory level, studies demonstrate that the defective carbons can be used as catalysts for methane decomposition, without the need for other catalysts, and the catalytic sites can be regenerated by the deposition of carbon decomposed from methane, to make the hydrogen production a continuous process. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 journal article

New B2O3 crystals predicted from concurrent molecular dynamics simulations and first-principles calculations

JOURNAL OF PHYSICAL CHEMISTRY C, 111(37), 13712–13720.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

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