Mechanism-driven CO2 Capture and Activation on Two-dimensional Transition-metal Diborides

Jakkapat Seeyangnok, Rungkiat Nganglumpoon, Joongjai Panpranot +1

The urgent need to mitigate rising atmospheric CO2 levels motivates the search for stable, efficient, and tunable adsorbent materials. In this study, we employ first-principles den…