New Paper Published in PCCP
Our recent work, “Mechanistic Insights into CO2 Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold,” just got published in Physical Chemistry Chemical Physics!
Congratulations, Kamal Kumar, Nora H. de Leeuw, and Abhishek Kumar Mishra!
Goldene, a one-atom-thick gold sheet, is an emerging graphene-like flat 2-dimensional material. In this study, the geometrical and electronic properties, as well as CO2 adsorption characteristics, of the pristine, vacancy-containing, and X-doped (X = Al, B, S, P and N) goldene sheets have been investigated by employing first-principles calculations based on the density functional theory. Our findings provide an in-depth understanding of the electronic properties of pure, vacancy-containing, and doped goldene, which can aid their potential application in CO2 activation and conversion.
Read the full story here:
K. Kumar, N. H. D. Leeuw, J. Adam, and A. K. Mishra. “Mechanistic Insights into CO2
Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold”.
en. In: Physical Chemistry Chemical Physics (2024). Publisher: The Royal Society of Chemistry.