Issue 71, 2022

An electron counting formula to explain and to predict hydrogenated and metallated borophenes

Abstract

A generalized electron counting rule for borophene with varying hole density explains the preference for hydrogenation in β12 borophene of hole density ⅙. Interplay between bridging and terminal BH bonds controls the strength of interaction of the 2D layer with the metal surface.

Graphical abstract: An electron counting formula to explain and to predict hydrogenated and metallated borophenes

Supplementary files

Article information

Article type
Communication
Submitted
07 6月 2022
Accepted
20 7月 2022
First published
22 7月 2022

Chem. Commun., 2022,58, 9882-9885

An electron counting formula to explain and to predict hydrogenated and metallated borophenes

R. Chaliha, D. Sravanakumar Perumalla and E. D. Jemmis, Chem. Commun., 2022, 58, 9882 DOI: 10.1039/D2CC03218J

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