Quantitative Chemistry and the Discrete Geometry of Conformal Atom-Thin Crystals
Shows that the chemical properties of atom-thin crystals (hybridization angles, bond lengths, reactivity) can be read directly from the discrete geometry of their atomic positions, even in the presence of defects. The pyramidalization angle, a key chemically significant measure, turns out to be linearly proportional to the mean curvature of the crystal surface.
BibTeX
@article{conformal-atom-thin-crystals,
title = {Quantitative Chemistry and the Discrete Geometry of Conformal Atom-Thin Crystals},
author = {A. A. Pacheco Sanjuan and M. Mehboudi and E. O. Harriss and H. Terrones and S. Barraza-Lopez},
journal = {ACS Nano},
year = {2014},
volume = {8},
number = {2},
pages = {1136--1146},
doi = {10.1021/nn406532z},
}